 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer07_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-33554.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     33556.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer07_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:54:53 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:54:53 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Thu Aug 12 21:54:53 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:54:54 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.08D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:54:54 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:54:55 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:54:55 2021, MaxMem=  5368709120 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.604304165860    
 DIIS: error= 4.47D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.604304165860     IErMin= 1 ErrMin= 4.47D-03
 ErrMax= 4.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-02 BMatP= 3.01D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.47D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.314 Goal=   None    Shift=    0.000
 GapD=    0.314 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.44D-02 MaxDP=8.40D-01              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.37D-02    CP:  1.13D+00
 E= -766.635561929253     Delta-E=       -0.031257763394 Rises=F Damp=F
 DIIS: error= 1.06D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.635561929253     IErMin= 2 ErrMin= 1.06D-03
 ErrMax= 1.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-03 BMatP= 3.01D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.06D-02
 Coeff-Com: -0.451D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.447D-02 0.100D+01
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.04D-03 MaxDP=1.77D-01 DE=-3.13D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.49D-03    CP:  1.19D+00  1.13D+00
 E= -766.636690669176     Delta-E=       -0.001128739922 Rises=F Damp=F
 DIIS: error= 8.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.636690669176     IErMin= 3 ErrMin= 8.63D-04
 ErrMax= 8.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 1.54D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.63D-03
 Coeff-Com: -0.623D-01 0.492D+00 0.570D+00
 Coeff-En:   0.000D+00 0.473D-01 0.953D+00
 Coeff:     -0.617D-01 0.488D+00 0.573D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=3.55D-04 MaxDP=2.42D-02 DE=-1.13D-03 OVMax= 4.09D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.01D-04    CP:  1.19D+00  1.14D+00  1.07D+00
 E= -766.637526276311     Delta-E=       -0.000835607136 Rises=F Damp=F
 DIIS: error= 1.52D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.637526276311     IErMin= 4 ErrMin= 1.52D-04
 ErrMax= 1.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-05 BMatP= 1.25D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.52D-03
 Coeff-Com: -0.148D-01 0.376D-01 0.145D+00 0.832D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.148D-01 0.376D-01 0.145D+00 0.832D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=5.26D-03 DE=-8.36D-04 OVMax= 1.50D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.19D+00  1.14D+00  1.09D+00  1.07D+00
 E= -766.637565786074     Delta-E=       -0.000039509763 Rises=F Damp=F
 DIIS: error= 5.93D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.637565786074     IErMin= 5 ErrMin= 5.93D-05
 ErrMax= 5.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-06 BMatP= 3.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.380D-01-0.169D-01 0.296D+00 0.757D+00
 Coeff:      0.150D-02-0.380D-01-0.169D-01 0.296D+00 0.757D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=4.40D-05 MaxDP=1.86D-03 DE=-3.95D-05 OVMax= 6.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.21D-05    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.10D+00
 E= -766.637572711760     Delta-E=       -0.000006925686 Rises=F Damp=F
 DIIS: error= 2.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.637572711760     IErMin= 6 ErrMin= 2.14D-05
 ErrMax= 2.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-06 BMatP= 6.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.229D-02-0.219D-01-0.246D-01 0.533D-01 0.353D+00 0.638D+00
 Coeff:      0.229D-02-0.219D-01-0.246D-01 0.533D-01 0.353D+00 0.638D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=7.20D-04 DE=-6.93D-06 OVMax= 3.06D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.88D-06    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.15D+00
                    CP:  1.17D+00
 E= -766.637573969340     Delta-E=       -0.000001257580 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.637573969340     IErMin= 7 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 1.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.455D-03-0.332D-03-0.505D-02-0.351D-01-0.248D-01 0.188D+00
 Coeff-Com:  0.877D+00
 Coeff:      0.455D-03-0.332D-03-0.505D-02-0.351D-01-0.248D-01 0.188D+00
 Coeff:      0.877D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=9.04D-06 MaxDP=3.61D-04 DE=-1.26D-06 OVMax= 2.18D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.66D-06    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.19D+00
                    CP:  1.27D+00  1.43D+00
 E= -766.637574225130     Delta-E=       -0.000000255789 Rises=F Damp=F
 DIIS: error= 4.68D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.637574225130     IErMin= 8 ErrMin= 4.68D-06
 ErrMax= 4.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-08 BMatP= 1.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-03 0.291D-02 0.238D-02-0.150D-01-0.538D-01-0.535D-01
 Coeff-Com:  0.193D+00 0.924D+00
 Coeff:     -0.206D-03 0.291D-02 0.238D-02-0.150D-01-0.538D-01-0.535D-01
 Coeff:      0.193D+00 0.924D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=3.02D-06 MaxDP=1.11D-04 DE=-2.56D-07 OVMax= 1.11D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.67D-06    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.32D+00  1.52D+00  1.25D+00
 E= -766.637574267264     Delta-E=       -0.000000042134 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.637574267264     IErMin= 9 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-09 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-03 0.115D-02 0.167D-02-0.955D-03-0.171D-01-0.497D-01
 Coeff-Com: -0.498D-01 0.385D+00 0.730D+00
 Coeff:     -0.135D-03 0.115D-02 0.167D-02-0.955D-03-0.171D-01-0.497D-01
 Coeff:     -0.498D-01 0.385D+00 0.730D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=3.48D-05 DE=-4.21D-08 OVMax= 3.92D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.17D-07    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.57D+00  1.32D+00  1.21D+00
 E= -766.637574274092     Delta-E=       -0.000000006828 Rises=F Damp=F
 DIIS: error= 6.17D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.637574274092     IErMin=10 ErrMin= 6.17D-07
 ErrMax= 6.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-10 BMatP= 3.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.432D-05-0.163D-03 0.595D-04 0.210D-02 0.443D-02-0.274D-02
 Coeff-Com: -0.406D-01-0.675D-01 0.140D+00 0.965D+00
 Coeff:     -0.432D-05-0.163D-03 0.595D-04 0.210D-02 0.443D-02-0.274D-02
 Coeff:     -0.406D-01-0.675D-01 0.140D+00 0.965D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=5.46D-07 MaxDP=1.53D-05 DE=-6.83D-09 OVMax= 1.97D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.39D-07    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.58D+00  1.37D+00  1.34D+00  1.32D+00
 E= -766.637574275063     Delta-E=       -0.000000000971 Rises=F Damp=F
 DIIS: error= 1.66D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.637574275063     IErMin=11 ErrMin= 1.66D-07
 ErrMax= 1.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-11 BMatP= 3.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-04-0.225D-03-0.222D-03 0.889D-03 0.390D-02 0.616D-02
 Coeff-Com: -0.707D-02-0.746D-01-0.565D-01 0.324D+00 0.804D+00
 Coeff:      0.182D-04-0.225D-03-0.222D-03 0.889D-03 0.390D-02 0.616D-02
 Coeff:     -0.707D-02-0.746D-01-0.565D-01 0.324D+00 0.804D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=1.04D-05 DE=-9.71D-10 OVMax= 5.52D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.58D+00  1.38D+00  1.39D+00  1.41D+00
                    CP:  1.25D+00
 E= -766.637574275195     Delta-E=       -0.000000000133 Rises=F Damp=F
 DIIS: error= 5.61D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.637574275195     IErMin=12 ErrMin= 5.61D-08
 ErrMax= 5.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-12 BMatP= 5.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.497D-05-0.358D-04-0.624D-04-0.312D-04 0.363D-03 0.200D-02
 Coeff-Com:  0.343D-02-0.936D-02-0.337D-01-0.400D-01 0.208D+00 0.869D+00
 Coeff:      0.497D-05-0.358D-04-0.624D-04-0.312D-04 0.363D-03 0.200D-02
 Coeff:      0.343D-02-0.936D-02-0.337D-01-0.400D-01 0.208D+00 0.869D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=7.20D-08 MaxDP=4.09D-06 DE=-1.33D-10 OVMax= 2.42D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.72D-08    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.58D+00  1.38D+00  1.39D+00  1.45D+00
                    CP:  1.33D+00  1.14D+00
 E= -766.637574275204     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 3.13D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.637574275204     IErMin=13 ErrMin= 3.13D-08
 ErrMax= 3.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-12 BMatP= 5.91D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.554D-06 0.155D-04 0.703D-05-0.113D-03-0.366D-03-0.762D-04
 Coeff-Com:  0.184D-02 0.623D-02-0.457D-02-0.523D-01-0.376D-01 0.287D+00
 Coeff-Com:  0.800D+00
 Coeff:     -0.554D-06 0.155D-04 0.703D-05-0.113D-03-0.366D-03-0.762D-04
 Coeff:      0.184D-02 0.623D-02-0.457D-02-0.523D-01-0.376D-01 0.287D+00
 Coeff:      0.800D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=3.02D-08 MaxDP=1.52D-06 DE=-8.64D-12 OVMax= 1.09D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.58D+00  1.38D+00  1.40D+00  1.46D+00
                    CP:  1.37D+00  1.22D+00  1.16D+00
 E= -766.637574275220     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 1.36D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.637574275220     IErMin=14 ErrMin= 1.36D-08
 ErrMax= 1.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-13 BMatP= 1.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.991D-06 0.980D-05 0.130D-04-0.210D-04-0.158D-03-0.368D-03
 Coeff-Com: -0.214D-03 0.316D-02 0.483D-02-0.442D-02-0.478D-01-0.904D-01
 Coeff-Com:  0.173D+00 0.962D+00
 Coeff:     -0.991D-06 0.980D-05 0.130D-04-0.210D-04-0.158D-03-0.368D-03
 Coeff:     -0.214D-03 0.316D-02 0.483D-02-0.442D-02-0.478D-01-0.904D-01
 Coeff:      0.173D+00 0.962D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=4.03D-07 DE=-1.61D-11 OVMax= 7.20D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  8.84D-09    CP:  1.19D+00  1.14D+00  1.10D+00  1.12D+00  1.20D+00
                    CP:  1.33D+00  1.58D+00  1.38D+00  1.40D+00  1.46D+00
                    CP:  1.38D+00  1.26D+00  1.34D+00  1.19D+00
 E= -766.637574275193     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 8.93D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -766.637574275220     IErMin=15 ErrMin= 8.93D-09
 ErrMax= 8.93D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.76D-14 BMatP= 1.98D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.465D-07-0.183D-05 0.655D-06 0.214D-04 0.559D-04-0.459D-04
 Coeff-Com: -0.467D-03-0.885D-03 0.194D-02 0.119D-01-0.275D-04-0.864D-01
 Coeff-Com: -0.166D+00 0.197D+00 0.104D+01
 Coeff:     -0.465D-07-0.183D-05 0.655D-06 0.214D-04 0.559D-04-0.459D-04
 Coeff:     -0.467D-03-0.885D-03 0.194D-02 0.119D-01-0.275D-04-0.864D-01
 Coeff:     -0.166D+00 0.197D+00 0.104D+01
 Gap=     0.316 Goal=   None    Shift=    0.000
 RMSDP=9.56D-09 MaxDP=3.56D-07 DE= 2.71D-11 OVMax= 5.08D-07

 SCF Done:  E(RM11) =  -766.637574275     A.U. after   15 cycles
            NFock= 15  Conv=0.96D-08     -V/T= 2.0115
 KE= 7.579101176531D+02 PE=-4.049507035381D+03 EE= 1.390754512336D+03
 Leave Link  502 at Thu Aug 12 22:02:10 2021, MaxMem=  5368709120 cpu:            3459.7 elap:             434.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.65439564D+02

 Leave Link  801 at Thu Aug 12 22:02:10 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.92D-01 9.47D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.87D-02 1.12D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 5.71D-03 3.27D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.11D-03 8.52D-03.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.38D-04 2.15D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 7.30D-06 4.95D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 3.33D-07 7.92D-05.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 1.75D-08 1.83D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 6.31D-10 3.93D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 1.87D-11 6.70D-07.
      9 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 7.29D-13 9.96D-08.
      7 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 5.60D-14 1.95D-08.
      5 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 6.94D-14 1.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   142 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.299428D+03
      2  0.128912D+02  0.170907D+03
      3 -0.154299D+02 -0.523792D+01  0.117201D+03
 Isotropic polarizability for W=    0.088559      195.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.315707D+03 -0.378249D+02  0.852656D+02
      2   0.148999D+03  0.194703D+02 -0.424389D+02
      3   0.166708D+03  0.183545D+02 -0.428267D+02
      4  -0.496213D+02 -0.110250D+03  0.378491D+02
      5   0.175578D+02  0.417880D+02  0.360109D+02
      6   0.114594D+02 -0.680736D+02 -0.337374D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.922088D+01 -0.283990D+02  0.121123D+02
      2   0.753971D+02  0.156978D+02  0.135215D+02
      3   0.400591D+02  0.524363D+02 -0.197355D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.393889D+01 -0.256347D+02  0.520920D+02
      2   0.677077D+02  0.263897D+02 -0.130698D+03
      3  -0.117965D+02  0.259249D+03 -0.303286D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.103416D+01 -0.649040D+01 -0.800591D+01
      2  -0.649040D+01  0.134011D+01 -0.420581D+00
      3  -0.800591D+01 -0.420581D+00  0.487717D+01
 OR G Eigenvalues:    -9.5985     3.0282    11.7534  Iso=    -1.7277
 Eigenvectors:
   (1)   0.765939   0.471280   0.437301
   (2)  -0.173021   0.806194  -0.565787
   (3)  -0.619194   0.357696   0.699036
 w=    0.088559 a.u., Optical Rotation Beta=     -1.7277 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -380.47 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 7.79D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.90D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.52D-02 4.58D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 6.79D-03 1.40D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.44D-04 2.38D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.05D-06 2.20D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.23D-07 2.98D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.36D-09 4.47D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.82D-11 5.97D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 5.66D-13 6.69D-08.
     10 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 2.32D-14 1.09D-08.
      6 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 1.89D-14 1.21D-08.
      6 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.11D-14 1.12D-08.
      4 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.14D-14 8.95D-09.
      3 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 1.61D-14 8.35D-09.
      1 vectors produced by pass 14 Test12= 6.78D-14 2.78D-09 XBig12= 1.75D-15 3.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   300 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299428D+03  0.128912D+02 -0.154299D+02
      2   0.128912D+02  0.170907D+03 -0.523792D+01
      3  -0.154299D+02 -0.523792D+01  0.117201D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.922088D+01 -0.283990D+02  0.121123D+02
      2   0.753971D+02  0.156978D+02  0.135215D+02
      3   0.400591D+02  0.524363D+02 -0.197355D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.315707D+03 -0.378249D+02  0.852656D+02
      2   0.148999D+03  0.194703D+02 -0.424389D+02
      3   0.166708D+03  0.183545D+02 -0.428267D+02
      4  -0.496213D+02 -0.110250D+03  0.378491D+02
      5   0.175578D+02  0.417880D+02  0.360109D+02
      6   0.114594D+02 -0.680736D+02 -0.337374D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.396571D+02  0.844581D+01 -0.382478D+01 -0.447728D+02 -0.589073D+01
      2   0.844581D+01  0.502522D+01 -0.170163D+01 -0.589073D+01 -0.590662D+01
      3  -0.382478D+01 -0.170163D+01  0.547369D-01  0.499900D+01  0.102515D+01
                 6             7             8             9            10 
      1   0.499900D+01  0.101808D+01 -0.292473D+00  0.122054D+01 -0.319904D+02
      2   0.102515D+01 -0.292473D+00 -0.999755D-01 -0.792900D+00 -0.639740D+01
      3  -0.479156D+00  0.122054D+01 -0.792900D+00  0.146751D+00  0.286863D+01
                11            12            13            14            15 
      1  -0.639740D+01  0.286863D+01  0.495528D+02  0.728037D+01 -0.565398D+01
      2  -0.104911D+01  0.444382D+00  0.728037D+01  0.768071D+01 -0.169241D+01
      3   0.444382D+00 -0.400655D+00 -0.565398D+01 -0.169241D+01  0.496171D+00
                16            17            18            19            20 
      1  -0.139919D+01  0.404620D-01 -0.555573D+00 -0.451349D+02 -0.959784D+01
      2   0.404620D-01 -0.456190D+00  0.104693D+01 -0.959784D+01 -0.973320D+01
      3  -0.555573D+00  0.104693D+01 -0.325628D+00  0.385947D+01  0.169931D+01
                21            22            23            24            25 
      1   0.385947D+01 -0.165436D+02 -0.197241D+01  0.240692D+00  0.724517D+01
      2   0.169931D+01 -0.197241D+01 -0.570604D+01  0.558403D+00  0.220218D+00
      3  -0.597808D+00  0.240692D+00  0.558403D+00 -0.211644D+01  0.138233D+00
                26            27            28            29            30 
      1   0.220218D+00  0.138233D+00  0.463857D+02  0.492455D+01 -0.109541D+01
      2   0.112984D+01 -0.374848D+01  0.492455D+01  0.431251D+01 -0.616973D+00
      3  -0.374848D+01  0.481893D+00 -0.109541D+01 -0.616973D+00  0.212983D+01
                31            32            33            34            35 
      1   0.807100D+01  0.212545D+01 -0.261560D+00 -0.467976D+01 -0.869330D-01
      2   0.212545D+01  0.158796D+02 -0.276985D+01 -0.869330D-01 -0.280228D+01
      3  -0.261560D+00 -0.276985D+01  0.406701D+00  0.590820D+01  0.126831D+01
                36            37            38            39            40 
      1   0.590820D+01  0.921088D+01 -0.192528D+01 -0.106296D+00  0.544924D+01
      2   0.126831D+01 -0.192528D+01  0.123226D+02 -0.125098D+01  0.138088D+01
      3  -0.131689D+01 -0.106296D+00 -0.125098D+01  0.207671D+01  0.535239D+00
                41            42            43            44            45 
      1   0.138088D+01  0.535239D+00 -0.654110D+00  0.100990D+01  0.450382D+01
      2  -0.905316D+01  0.161567D+01  0.100990D+01 -0.279768D+00  0.191567D+01
      3   0.161567D+01  0.617325D+00  0.450382D+01  0.191567D+01 -0.234951D+01
                46            47            48            49            50 
      1  -0.149544D+02  0.169644D+01  0.153455D+01 -0.939677D-02  0.213470D+01
      2   0.169644D+01 -0.892940D+01  0.183487D+01  0.213470D+01 -0.165299D+00
      3   0.153455D+01  0.183487D+01 -0.188826D+01 -0.123989D+00  0.445296D+00
                51            52            53            54            55 
      1  -0.123989D+00  0.170841D+01  0.458687D-01 -0.146723D+01  0.457887D+01
      2   0.445296D+00  0.458687D-01  0.201153D+01  0.383108D+01 -0.317093D+01
      3   0.155062D+01 -0.146723D+01  0.383108D+01 -0.714958D+00 -0.221949D+00
                56            57            58            59            60 
      1  -0.317093D+01 -0.221949D+00 -0.188256D+01 -0.352975D+01  0.240194D+00
      2   0.497179D+01 -0.195353D+00 -0.352975D+01 -0.183399D+01  0.688567D-01
      3  -0.195353D+00  0.183642D+01  0.240194D+00  0.688567D-01 -0.153351D+01
                61            62            63            64            65 
      1  -0.390122D+00  0.307016D+00  0.331863D+00  0.118128D+01 -0.218863D+01
      2   0.307016D+00 -0.126593D+01 -0.378705D+01 -0.218863D+01  0.913917D+00
      3   0.331863D+00 -0.378705D+01  0.479791D+00 -0.115777D+00  0.262116D+00
                66            67            68            69            70 
      1  -0.115777D+00 -0.286260D+01  0.289495D+01  0.116871D+00 -0.272055D+00
      2   0.262116D+00  0.289495D+01 -0.649352D+01 -0.759483D-01  0.178819D+00
      3   0.750315D-01  0.116871D+00 -0.759483D-01 -0.777986D+00  0.677173D-02
                71            72            73            74            75 
      1   0.178819D+00  0.677173D-02  0.630025D+01  0.337467D+01 -0.106632D+01
      2   0.387279D+00 -0.155518D+00  0.337467D+01  0.333499D+01 -0.746517D+00
      3  -0.155518D+00 -0.134760D-01 -0.106632D+01 -0.746517D+00  0.733957D+00
                76            77            78            79            80 
      1   0.375223D+01  0.441476D+01 -0.953488D+00 -0.142270D+01 -0.929503D+00
      2   0.441476D+01  0.532887D+01 -0.109526D+01 -0.929503D+00 -0.899743D+00
      3  -0.953488D+00 -0.109526D+01  0.955491D+00 -0.541454D-01  0.620257D+00
                81            82            83            84            85 
      1  -0.541454D-01 -0.106779D+01  0.161052D+01 -0.896029D-01  0.666749D+00
      2   0.620257D+00  0.161052D+01 -0.224451D+01  0.126403D+00 -0.136349D+01
      3  -0.251686D+00 -0.896029D-01  0.126403D+00 -0.210028D+00  0.231821D+00
                86            87            88            89            90 
      1  -0.136349D+01  0.231821D+00  0.222339D-01 -0.389105D-01  0.954705D-01
      2   0.108755D+02 -0.104533D+01 -0.389105D-01 -0.904000D+00  0.446315D+00
      3  -0.104533D+01  0.108770D+01  0.954705D-01  0.446315D+00 -0.183116D+00
                91            92            93            94            95 
      1  -0.200239D+02 -0.307554D+01 -0.191016D+01 -0.104717D+01 -0.222855D+01
      2  -0.307554D+01 -0.912618D+00 -0.337321D+00 -0.222855D+01  0.137773D+01
      3  -0.191016D+01 -0.337321D+00 -0.316611D+01  0.250564D+00  0.330288D+01
                96            97            98            99           100 
      1   0.250564D+00 -0.669726D+01 -0.605919D+00 -0.601275D+01 -0.766727D+01
      2   0.330288D+01 -0.605919D+00  0.224600D+01 -0.167657D+01  0.155084D+01
      3  -0.727247D+00 -0.601275D+01 -0.167657D+01 -0.644242D+00  0.188681D+01
               101           102           103           104           105 
      1   0.155084D+01  0.188681D+01 -0.139800D+01  0.233976D+01  0.605019D+00
      2   0.169221D+01  0.713593D+00  0.233976D+01 -0.157427D+01 -0.335811D+01
      3   0.713593D+00  0.342263D+01  0.605019D+00 -0.335811D+01  0.117139D+01
               106           107           108           109           110 
      1   0.190274D+01  0.770807D+00  0.247339D+01 -0.309113D+01 -0.949153D+00
      2   0.770807D+00 -0.244409D+01  0.242864D+01 -0.949153D+00 -0.499002D+00
      3   0.247339D+01  0.242864D+01  0.317010D+01  0.146997D+00 -0.378017D+00
               111           112           113           114           115 
      1   0.146997D+00 -0.111176D+01  0.724228D+00  0.570852D-01  0.109582D+02
      2  -0.378017D+00  0.724228D+00 -0.154109D+00 -0.954530D-01  0.360098D+00
      3   0.703837D+00  0.570852D-01 -0.954530D-01  0.525936D+00  0.494126D+01
               116           117           118           119           120 
      1   0.360098D+00  0.494126D+01  0.369886D+01  0.187290D+01 -0.154504D+01
      2   0.267006D+00  0.288203D+00  0.187290D+01  0.979108D+00 -0.501017D+00
      3   0.288203D+00  0.681927D+00 -0.154504D+01 -0.501017D+00  0.165303D+01
               121           122           123           124           125 
      1   0.528833D+01  0.169777D+01 -0.106304D+01 -0.221637D+01 -0.551714D+00
      2   0.169777D+01  0.260471D+01 -0.199146D+01 -0.551714D+00 -0.186142D+01
      3  -0.106304D+01 -0.199146D+01  0.179091D+01  0.259839D+01  0.169625D+01
               126           127           128           129           130 
      1   0.259839D+01 -0.757837D+00 -0.262474D+00 -0.134268D+01  0.290670D+00
      2   0.169625D+01 -0.262474D+00 -0.104456D+01 -0.884085D+00 -0.392664D+00
      3  -0.348062D+01 -0.134268D+01 -0.884085D+00 -0.244726D+01 -0.113438D+00
               131           132           133           134           135 
      1  -0.392664D+00 -0.113438D+00 -0.171258D+01  0.254805D+00 -0.482355D+00
      2  -0.108423D+01 -0.105702D+01  0.254805D+00 -0.180111D+01 -0.248988D+01
      3  -0.105702D+01 -0.139323D+01 -0.482355D+00 -0.248988D+01 -0.733781D+01
               136           137           138           139           140 
      1  -0.117811D-01 -0.551388D+00  0.460182D+00 -0.120336D+01  0.301649D+00
      2  -0.551388D+00 -0.913627D+00  0.250628D-01  0.301649D+00 -0.443063D+01
      3   0.460182D+00  0.250628D-01 -0.777654D+00 -0.479621D-02  0.159206D+01
               141           142           143           144           145 
      1  -0.479621D-02  0.133054D+01 -0.671207D+00 -0.371839D+00  0.122012D+02
      2   0.159206D+01 -0.671207D+00  0.284003D+01 -0.153673D+01 -0.306563D+01
      3  -0.152982D+01 -0.371839D+00 -0.153673D+01  0.192705D+01 -0.218348D+01
               146           147           148           149           150 
      1  -0.306563D+01 -0.218348D+01 -0.169925D+01  0.142122D+01  0.195289D+00
      2   0.184226D+01  0.723261D+00  0.142122D+01 -0.510610D+00 -0.132891D-01
      3   0.723261D+00  0.143555D+01  0.195289D+00 -0.132891D-01 -0.147106D+00
               151           152           153           154           155 
      1  -0.138471D+01  0.270817D+00  0.135609D+01  0.186848D+02  0.258463D+01
      2   0.270817D+00  0.679471D-01 -0.604317D+00  0.258463D+01  0.226638D+01
      3   0.135609D+01 -0.604317D+00 -0.999627D+00  0.135135D+01  0.632545D+00
               156           157           158           159           160 
      1   0.135135D+01  0.342082D+01  0.411788D+01  0.230699D+00  0.232959D+01
      2   0.632545D+00  0.411788D+01  0.201185D+01  0.461560D+00  0.522513D+00
      3   0.300923D+01  0.230699D+00  0.461560D+00  0.368218D+00  0.298552D+01
               161           162           163           164           165 
      1   0.522513D+00  0.298552D+01  0.113348D+02  0.400458D+00  0.445565D+01
      2  -0.112214D+00  0.674350D+00  0.400458D+00 -0.523881D+00 -0.217423D+00
      3   0.674350D+00  0.567798D+00  0.445565D+01 -0.217423D+00  0.102681D+01
               166           167           168           169           170 
      1   0.195199D+01 -0.468226D+00  0.371100D+00  0.155572D+01 -0.400655D+00
      2  -0.468226D+00 -0.375803D+00  0.118587D+01 -0.400655D+00  0.548996D+00
      3   0.371100D+00  0.118587D+01 -0.115501D+00  0.416355D+00  0.197187D+00
               171           172           173           174           175 
      1   0.416355D+00 -0.102372D+02 -0.188326D-01 -0.249853D+01 -0.119477D+01
      2   0.197187D+00 -0.188326D-01 -0.794908D-01  0.136669D+00  0.324956D+00
      3   0.644509D+01 -0.249853D+01  0.136669D+00 -0.270624D+01 -0.305245D+00
               176           177           178           179           180 
      1   0.324956D+00 -0.305245D+00 -0.609781D+01  0.106880D+00 -0.244086D+01
      2  -0.774638D-01  0.591507D+00  0.106880D+00  0.104365D+01 -0.115011D+00
      3   0.591507D+00 -0.487340D+00 -0.244086D+01 -0.115011D+00 -0.482931D-01
               181           182           183           184           185 
      1  -0.583440D+01  0.156413D+01 -0.162842D+00 -0.133068D+02 -0.270194D+01
      2   0.156413D+01 -0.905495D+01 -0.701802D-01 -0.270194D+01  0.522006D+01
      3  -0.162842D+00 -0.701802D-01 -0.193536D+01  0.114615D+01 -0.373999D+00
               186           187           188           189           190 
      1   0.114615D+01  0.110185D+01 -0.611631D+00 -0.393613D+01 -0.413284D+02
      2  -0.373999D+00 -0.611631D+00  0.318166D-02 -0.238650D+01 -0.551322D+01
      3  -0.123199D+01 -0.393613D+01 -0.238650D+01  0.175591D+01  0.349970D+01
               191           192           193           194           195 
      1  -0.551322D+01  0.349970D+01 -0.142611D+01 -0.233468D+01 -0.594094D+00
      2  -0.897186D+01  0.105188D+01 -0.233468D+01 -0.120496D+02  0.956546D+00
      3   0.105188D+01 -0.335263D+01 -0.594094D+00  0.956546D+00  0.416018D+00
               196           197           198           199           200 
      1   0.352033D+01  0.116554D+00 -0.713186D+01  0.377845D+02  0.886432D+01
      2   0.116554D+00  0.219604D+01 -0.743208D+00  0.886432D+01  0.748761D+01
      3  -0.713186D+01 -0.743208D+00  0.178286D+01 -0.413384D+01 -0.733968D+00
               201           202           203           204           205 
      1  -0.413384D+01  0.164888D+02  0.362572D+01 -0.177264D+01 -0.628116D+01
      2  -0.733968D+00  0.362572D+01  0.549601D+01 -0.192873D+00 -0.913699D+00
      3   0.617495D+00 -0.177264D+01 -0.192873D+00  0.226792D+01  0.598082D+00
               206           207           208           209           210 
      1  -0.913699D+00  0.598082D+00  0.121258D+02  0.402391D+01 -0.179281D+01
      2  -0.592757D+00  0.435423D+01  0.402391D+01  0.318905D+01 -0.731154D+00
      3   0.435423D+01 -0.120923D+01 -0.179281D+01 -0.731154D+00  0.614527D-01
               211           212           213           214           215 
      1  -0.204080D+01 -0.294026D+01  0.401809D+00 -0.130432D+01 -0.106874D+00
      2  -0.294026D+01  0.141592D+01  0.162302D+00 -0.106874D+00 -0.373854D+00
      3   0.401809D+00  0.162302D+00 -0.972308D+00  0.564031D-01  0.764805D+00
               216           217           218           219           220 
      1   0.564031D-01  0.173552D+00 -0.409541D+01  0.706051D+00 -0.449524D+01
      2   0.764805D+00 -0.409541D+01 -0.466525D+00  0.111118D+01  0.257536D+01
      3   0.260540D-01  0.706051D+00  0.111118D+01  0.102247D+00  0.121847D+01
               221           222           223           224           225 
      1   0.257536D+01  0.121847D+01  0.886299D+00  0.103385D+01  0.186017D+01
      2   0.162013D+01  0.672455D+00  0.103385D+01  0.823071D+00  0.406276D+01
      3   0.672455D+00  0.557543D+01  0.186017D+01  0.406276D+01 -0.196908D+01
               226           227           228           229           230 
      1   0.668280D+00 -0.151028D+01  0.819282D-01 -0.527245D+00  0.767939D+00
      2  -0.151028D+01  0.202163D+01 -0.340126D-01  0.767939D+00 -0.981655D+01
      3   0.819282D-01 -0.340126D-01  0.162681D+00 -0.122597D+00  0.680815D+00
               231           232           233           234           235 
      1  -0.122597D+00 -0.271898D-01  0.460810D-01 -0.764428D-01 -0.648953D+01
      2   0.680815D+00  0.460810D-01  0.710833D+00 -0.339889D+00 -0.320419D+01
      3  -0.963753D+00 -0.764428D-01 -0.339889D+00  0.150836D+00  0.103690D+01
               236           237           238           239           240 
      1  -0.320419D+01  0.103690D+01 -0.474746D+01 -0.432071D+01  0.931095D+00
      2  -0.264865D+01  0.551041D+00 -0.432071D+01 -0.479990D+01  0.885844D+00
      3   0.551041D+00 -0.531216D+00  0.931095D+00  0.885844D+00 -0.823382D+00
               241           242           243           244           245 
      1   0.142177D+01  0.892441D+00  0.131215D+00 -0.138751D+01  0.258027D+01
      2   0.892441D+00  0.822009D+00 -0.346058D+00  0.258027D+01 -0.206744D+01
      3   0.131215D+00 -0.346058D+00  0.110033D+00 -0.209680D+00 -0.470461D-01
               246           247           248           249           250 
      1  -0.209680D+00  0.305578D+01 -0.360321D+01  0.167796D+00 -0.267360D+00
      2  -0.470461D-01 -0.360321D+01  0.838921D+01 -0.405983D+00  0.739404D-01
      3  -0.286638D+00  0.167796D+00 -0.405983D+00  0.100886D+01 -0.294256D+00
               251           252           253           254           255 
      1   0.739404D-01 -0.294256D+00  0.586234D+00 -0.217680D-02  0.938453D+00
      2  -0.591933D+00  0.269949D+00 -0.217680D-02  0.357216D+00 -0.553714D-01
      3   0.269949D+00 -0.107372D+00  0.938453D+00 -0.553714D-01  0.437384D+00
               256           257           258           259           260 
      1  -0.114707D+01 -0.149198D+01  0.969570D+00  0.368231D+01  0.112958D+01
      2  -0.149198D+01 -0.220686D+01  0.190441D+01  0.112958D+01  0.179037D+01
      3   0.969570D+00  0.190441D+01 -0.281057D+01 -0.278226D+01 -0.267972D+01
               261           262           263           264           265 
      1  -0.278226D+01 -0.989234D+00 -0.690776D+00 -0.146010D+01 -0.258848D+01
      2  -0.267972D+01 -0.690776D+00 -0.258663D+00 -0.526218D+00 -0.255040D+01
      3   0.627892D+01 -0.146010D+01 -0.526218D+00 -0.134908D+00 -0.135960D+01
               266           267           268           269           270 
      1  -0.255040D+01 -0.135960D+01 -0.454346D+01 -0.187785D+01 -0.221270D+01
      2  -0.350660D+01 -0.204525D+01 -0.187785D+01 -0.236564D+01 -0.249137D+01
      3  -0.204525D+01 -0.252311D+01 -0.221270D+01 -0.249137D+01 -0.353740D+01
               271           272           273           274           275 
      1  -0.136061D+02  0.272570D+01  0.932626D+00  0.601615D+01 -0.233860D+01
      2   0.272570D+01 -0.131898D+01 -0.285054D+00 -0.233860D+01  0.184496D+01
      3   0.932626D+00 -0.285054D+00 -0.110428D+01 -0.579991D+00  0.102614D+00
               276           277           278           279 
      1  -0.579991D+00  0.666903D+00 -0.293292D+00 -0.180336D+01
      2   0.102614D+00 -0.293292D+00 -0.368928D-01  0.282821D-01
      3   0.393727D+00 -0.180336D+01  0.282821D-01  0.483939D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195186D+01  0.389159D+01 -0.277199D+00  0.531520D+01  0.546839D+01
      2   0.140596D+02  0.606696D+01 -0.119679D+01 -0.142322D+02  0.225396D+00
      3  -0.225065D+01  0.388138D+02 -0.337978D+01  0.312358D+02  0.229364D+02
                 6             7             8             9            10 
      1  -0.102256D+01  0.331624D+01  0.714685D+01 -0.840102D+00  0.167965D+01
      2   0.762599D+00 -0.186741D+02 -0.237749D+01  0.212323D+01 -0.168096D+02
      3  -0.470334D+01 -0.279075D+01 -0.834254D+01 -0.237870D+00 -0.217218D+01
                11            12            13            14            15 
      1   0.662289D+01 -0.666481D+00  0.621572D+01  0.836655D+00  0.223428D+00
      2   0.110541D+01 -0.266982D+01  0.206059D+02  0.399050D+01 -0.271832D+01
      3   0.458876D+02 -0.391647D+01  0.609294D+02  0.227105D+02 -0.836829D+01
                16            17            18            19            20 
      1   0.184183D+01  0.624015D+01 -0.939397D+00  0.288803D+01 -0.253487D+00
      2  -0.200202D+02 -0.149550D+01  0.259425D+01 -0.215635D+02 -0.762438D+01
      3  -0.473358D+01 -0.845363D+01  0.213508D+01  0.102279D+02 -0.308357D+02
                21            22            23            24            25 
      1  -0.526500D+00 -0.489844D+00  0.377705D+01 -0.243232D+01  0.425648D+01
      2   0.626914D+00 -0.106326D+02 -0.139867D+01 -0.118713D+01 -0.172359D+02
      3   0.170030D+01  0.313854D+01  0.170298D+01 -0.654291D-01  0.339345D+01
                26            27            28            29            30 
      1   0.156911D+01  0.256607D+01  0.248996D+01  0.674218D+00 -0.433824D+00
      2  -0.645512D+01  0.220498D+01  0.263075D+02  0.330534D+01  0.925413D+00
      3   0.498277D+01  0.251364D+01  0.109239D+02  0.724243D+01 -0.687087D+00
                31            32            33            34            35 
      1   0.588306D+01 -0.581915D+01  0.281073D+01 -0.142864D+01  0.138288D+02
      2   0.398550D+01 -0.193988D+00  0.575862D-01 -0.129437D+02 -0.101032D+01
      3   0.278847D+02  0.500357D+01  0.163830D+01 -0.325744D+01 -0.165774D+01
                36            37            38            39            40 
      1  -0.243012D+01  0.180859D+01 -0.474202D+01 -0.411699D+01 -0.336065D+01
      2   0.119131D+01  0.300263D+01  0.261708D+00  0.231203D+01  0.329217D+01
      3  -0.270527D+00  0.273131D+02  0.240402D+01 -0.722628D+00 -0.311655D+01
                41            42            43            44            45 
      1   0.527579D+01 -0.118561D+01 -0.154942D+02  0.750956D+01  0.146371D+01
      2   0.222866D+01  0.980687D+00 -0.851323D+01  0.679566D+01  0.113423D+01
      3   0.181073D+01 -0.126978D+01 -0.262185D+00 -0.171376D+01  0.663231D+01
                46            47            48            49            50 
      1  -0.480010D+01 -0.502323D-01  0.419480D+01 -0.164726D+01 -0.354834D+01
      2  -0.897357D+01 -0.151700D+01  0.957142D+00 -0.177482D+01 -0.131046D+01
      3  -0.475165D+02 -0.333074D+02  0.625339D+01 -0.740568D+01 -0.221865D+02
                51            52            53            54            55 
      1  -0.322865D+01  0.877613D+01 -0.402597D+01 -0.301014D+01 -0.147902D+01
      2   0.921645D+00 -0.164179D+02  0.120156D+01  0.173336D+00 -0.575877D+01
      3   0.300470D+01  0.752489D+01  0.570435D+01 -0.652257D+01 -0.289454D+02
                56            57            58            59            60 
      1  -0.552608D+01  0.454889D+01  0.104709D+01 -0.293638D+01 -0.224302D+01
      2  -0.389300D+01 -0.403108D+01 -0.327808D+01 -0.286922D+01  0.387307D+01
      3  -0.337463D+02  0.484723D+01 -0.214088D+01 -0.248247D+02  0.138216D+01
                61            62            63            64            65 
      1   0.598652D+01 -0.203609D+01 -0.686375D+00  0.460280D+00  0.742375D+00
      2  -0.206092D+02  0.565061D+01  0.803066D+00 -0.248130D+00 -0.305447D+00
      3   0.401485D+01  0.559796D+01 -0.105392D+02 -0.925653D+00  0.149163D+01
                66            67            68            69            70 
      1   0.587751D+00 -0.404219D+00  0.167721D+01 -0.339805D+01  0.456142D+00
      2  -0.880059D-01 -0.621686D+00  0.851569D+00 -0.108431D+01 -0.183000D+01
      3  -0.732511D-02  0.536995D+01  0.413498D+01 -0.517061D+00 -0.799456D-01
                71            72            73            74            75 
      1   0.197442D+01 -0.262126D+00 -0.202067D+00 -0.124073D+01 -0.238186D+01
      2   0.136845D+01 -0.343018D-01  0.371660D+01  0.133806D+01  0.167757D+01
      3  -0.542355D+00 -0.791778D+00  0.961863D+01  0.259377D+00 -0.846442D+00
                76            77            78            79            80 
      1  -0.147692D+01 -0.204814D+01 -0.267677D+01  0.268005D+01  0.108689D+01
      2   0.164370D+01  0.147928D+01  0.216898D+01 -0.306475D+01  0.161198D+00
      3   0.161918D+01 -0.126225D+01 -0.585123D-01 -0.185545D+01  0.109883D+00
                81            82            83            84            85 
      1  -0.133822D+00 -0.117253D+01  0.143777D+01  0.130287D+01  0.316957D+00
      2  -0.592214D+00 -0.855171D+00  0.887295D+00  0.630808D+00  0.699440D+00
      3  -0.988157D+00 -0.515851D+01  0.290427D+01  0.138114D-01  0.524120D+01
                86            87            88            89            90 
      1  -0.421382D+01 -0.453453D+01 -0.137368D+01  0.211110D+01  0.305012D+00
      2  -0.124958D+01 -0.836748D+00 -0.215661D+00 -0.813600D+00  0.196944D+00
      3  -0.389311D+01  0.677989D+00  0.567284D+00  0.430440D+00  0.828652D+00
                91            92            93            94            95 
      1  -0.218463D+00  0.122221D+01 -0.155085D+00 -0.111585D+01  0.242401D-01
      2  -0.199283D+02 -0.221784D+01 -0.990160D+01  0.178797D+00  0.869867D+01
      3   0.153602D+01 -0.970431D+00 -0.912370D+00  0.171934D+02 -0.684673D+01
                96            97            98            99           100 
      1  -0.330678D+01 -0.253500D+01  0.375077D+01  0.340921D+01  0.632000D+00
      2  -0.213219D+01 -0.372873D+02 -0.542144D+01 -0.593109D+01 -0.302715D+01
      3  -0.133610D+02 -0.340717D+00 -0.116030D+02  0.540762D+01  0.109730D+02
               101           102           103           104           105 
      1  -0.322331D+01  0.382754D+01 -0.125598D+01 -0.385495D+01  0.571456D+01
      2   0.453175D+01  0.167911D+02  0.132391D+01 -0.880963D+01  0.530840D+01
      3  -0.165966D+02 -0.657626D+01 -0.107654D+02  0.112997D+01  0.141949D+02
               106           107           108           109           110 
      1   0.532465D+00  0.104576D+02  0.154851D+01 -0.382500D+01 -0.174732D+01
      2   0.837674D+01  0.962621D+01  0.142594D+02  0.204107D+02  0.253581D+01
      3  -0.490009D+01  0.992203D+01 -0.148483D+02  0.830870D-01  0.151391D+02
               111           112           113           114           115 
      1   0.429489D+01 -0.116836D+02 -0.363901D+01 -0.163625D+02  0.323764D+01
      2   0.910478D+00 -0.508401D+00  0.842183D+00 -0.234901D+01  0.167073D+02
      3  -0.265536D-02  0.120703D+02  0.767915D+01  0.260236D+01 -0.252509D+00
               116           117           118           119           120 
      1  -0.465756D+01  0.156771D+01 -0.893843D+00 -0.129525D+01  0.488006D+00
      2  -0.148518D+01  0.218649D+01 -0.258919D+01 -0.366755D+00  0.568948D+01
      3   0.419685D+01 -0.291042D+00 -0.718348D+01 -0.555182D+01  0.183512D+01
               121           122           123           124           125 
      1  -0.321345D+00 -0.255718D+01  0.624707D+00  0.325661D+00  0.279489D+01
      2   0.892144D+00 -0.523136D+01  0.564510D+01  0.563919D+01  0.499899D+01
      3  -0.187382D+01 -0.942821D+01  0.720545D+01  0.163367D+01  0.798985D+01
               126           127           128           129           130 
      1  -0.993874D+00 -0.131000D+01  0.144038D+01 -0.273409D+01  0.424000D+00
      2  -0.914376D+01 -0.775977D+01 -0.286000D+01 -0.949479D+01 -0.189008D+00
      3  -0.640180D+01  0.417055D+01  0.471363D+01  0.604287D+01  0.344825D+01
               131           132           133           134           135 
      1  -0.178722D+00 -0.212034D+01 -0.183326D+01  0.104727D+01 -0.783572D+01
      2  -0.429085D+01 -0.517079D+01 -0.649652D+01 -0.825607D+01 -0.258755D+02
      3   0.436415D+01  0.475485D+01  0.295467D+01  0.617277D+01  0.123992D+02
               136           137           138           139           140 
      1   0.211114D+01  0.133502D+01 -0.217102D+01  0.390893D+00  0.819239D+01
      2   0.231615D+01 -0.736747D+00 -0.195287D+01 -0.798607D+00  0.572942D+01
      3   0.522031D+01  0.501539D+01 -0.176922D+01  0.368566D+01  0.181110D+02
               141           142           143           144           145 
      1  -0.689814D+01 -0.553773D+00 -0.506487D+01  0.725273D+01  0.244678D+00
      2  -0.512158D+01 -0.190224D+01 -0.556647D+01  0.620595D+01  0.717900D+01
      3  -0.731790D+01 -0.185550D+01 -0.112976D+02  0.838834D+01 -0.731943D+01
               146           147           148           149           150 
      1  -0.166021D+01  0.181964D+01 -0.127302D+01  0.707300D+00 -0.126246D+01
      2  -0.508432D+00  0.524667D+01 -0.975482D+00  0.188877D+01 -0.406676D+00
      3  -0.573056D+01  0.528793D-01 -0.183910D+01  0.598557D+00 -0.127532D+01
               151           152           153           154           155 
      1   0.141528D+01 -0.503627D+00 -0.465845D+00  0.333337D+01  0.167711D+01
      2   0.266928D+01 -0.165223D+01 -0.226126D+01 -0.930307D+01  0.106364D+00
      3   0.967243D+00 -0.119793D+01  0.611410D+00 -0.585614D+01 -0.246346D+02
               156           157           158           159           160 
      1  -0.416501D+01  0.842151D+01  0.244392D+01  0.826180D+00 -0.198719D+01
      2   0.226637D+02  0.220619D+01 -0.130288D+01  0.389999D+01  0.939588D+01
      3  -0.112366D+01 -0.151980D+02 -0.107014D+02 -0.175715D+01 -0.364293D+00
               161           162           163           164           165 
      1   0.333250D+01 -0.148662D+00  0.390150D+01  0.170141D+01  0.902542D+00
      2   0.320815D+01  0.228245D+01 -0.713789D+01 -0.258011D+01  0.128059D+01
      3  -0.308467D+01 -0.205492D+01 -0.305505D+01 -0.351815D+01  0.374926D+00
               166           167           168           169           170 
      1   0.368609D+01 -0.196803D+00  0.445182D+01  0.216357D+01  0.735263D+01
      2  -0.235648D+01  0.556508D+01  0.236012D+00 -0.999972D+01  0.670954D+00
      3   0.253436D+01  0.539808D+00 -0.519317D+01  0.933792D+00 -0.237582D+01
               171           172           173           174           175 
      1  -0.159011D+01 -0.443079D+01 -0.158078D+01 -0.157581D+01 -0.458119D+01
      2   0.210416D+02  0.188341D+02  0.128810D+01 -0.455838D+01  0.299987D+01
      3   0.176394D+00  0.250680D+01  0.163369D+01  0.187401D+00  0.451719D+01
               176           177           178           179           180 
      1   0.617494D-01 -0.255910D+01 -0.154205D+01 -0.863326D+00 -0.604624D+00
      2   0.180960D+01 -0.802030D+00 -0.357016D+00  0.430441D+00  0.110997D+01
      3  -0.112607D+00 -0.754975D+00  0.387272D+00  0.969186D+00  0.229394D+00
               181           182           183           184           185 
      1  -0.413617D+00  0.370301D+01 -0.490382D+01 -0.249702D+01 -0.333292D-01
      2   0.345848D+00  0.199554D+01  0.659091D+01 -0.580515D+01  0.197395D+01
      3   0.159976D+02  0.429371D+01 -0.209544D+01 -0.140378D+02  0.703850D+01
               186           187           188           189           190 
      1  -0.109681D+01 -0.110743D+02  0.663275D+01  0.210219D+01  0.210244D+01
      2   0.300050D+01 -0.423534D+01  0.952097D+01 -0.312250D+01 -0.133257D+02
      3   0.411592D+00  0.113923D+01 -0.323141D+01  0.539178D+00  0.428655D+01
               191           192           193           194           195 
      1   0.683478D+01  0.882526D+00  0.572401D+01  0.572175D+01  0.215743D+01
      2  -0.635315D+00  0.865841D+00  0.287675D+01 -0.213439D+01 -0.624297D+00
      3   0.190242D+02 -0.283961D+01  0.375851D+02  0.430233D+01 -0.469017D+01
               196           197           198           199           200 
      1  -0.458878D+00  0.110751D+02 -0.190408D+01  0.503159D+00 -0.632027D+01
      2   0.334292D+01 -0.369577D+01 -0.210957D+01  0.145501D+02 -0.131913D+01
      3  -0.469612D+01 -0.418274D+01 -0.126162D+01  0.177903D+02 -0.360046D+02
               201           202           203           204           205 
      1  -0.274989D-01 -0.460773D+00 -0.310233D+01 -0.271810D+01  0.607067D+01
      2   0.180606D+01  0.338635D+01 -0.151124D+01 -0.388734D+01 -0.209281D+02
      3   0.265163D+01  0.239588D+01 -0.102438D+02  0.238931D+01 -0.244873D+00
               206           207           208           209           210 
      1   0.318201D+01 -0.103791D+01 -0.175108D+01 -0.612332D+01 -0.106630D+01
      2  -0.154616D+02  0.459163D+01  0.461196D+01 -0.133164D+01  0.133771D+02
      3   0.771194D+01  0.768640D+01 -0.159088D+01 -0.379015D+02  0.314179D+01
               211           212           213           214           215 
      1  -0.342073D-01  0.476749D+00 -0.455228D+01 -0.196568D+01 -0.694879D+00
      2  -0.794117D+00  0.711155D+00  0.474846D+01 -0.564758D+01 -0.156984D+01
      3  -0.105780D+01  0.124439D+02 -0.104400D+01  0.152232D+01  0.393341D+01
               216           217           218           219           220 
      1   0.115750D+01 -0.117538D+01  0.246029D+01  0.115824D+01  0.376553D+01
      2  -0.106853D+01 -0.587080D+01 -0.382839D+01 -0.104289D+01 -0.489110D+01
      3   0.268958D+01 -0.303844D+02  0.109947D+02  0.605787D+01  0.258257D+02
               221           222           223           224           225 
      1   0.324637D+01  0.364333D+01  0.947904D+01  0.627917D+01 -0.109013D+00
      2  -0.383792D+01 -0.357614D+02 -0.166078D+02 -0.267665D+02  0.125916D+02
      3   0.215124D+02  0.160751D+01  0.571805D+01  0.172827D+01  0.275180D+02
               226           227           228           229           230 
      1  -0.340780D+00  0.433857D+00  0.122373D+01 -0.199993D+00  0.293852D+00
      2  -0.536442D+00  0.166233D+00  0.230873D+00  0.553817D+00 -0.184159D+01
      3  -0.732498D+01  0.556140D+01  0.148228D+00  0.550885D+01 -0.199197D+02
               231           232           233           234           235 
      1  -0.445215D+01 -0.506176D+00  0.218321D+01  0.244999D+00  0.145924D+01
      2   0.832531D+00  0.780099D-01  0.817591D-01 -0.876182D-01 -0.178146D+01
      3   0.164033D+01  0.402272D+00  0.107977D+01 -0.336712D-01  0.364957D+01
               236           237           238           239           240 
      1   0.154290D+00 -0.189918D+01  0.644811D+00 -0.810034D-01 -0.268080D+01
      2  -0.122245D+01  0.221560D+01 -0.199967D+01 -0.222866D+01  0.362844D+01
      3  -0.450495D+01 -0.118584D+00 -0.496555D+01 -0.114392D+02  0.152975D+01
               241           242           243           244           245 
      1   0.196333D+01  0.876455D+00  0.797591D-01 -0.224873D+00  0.585666D+00
      2  -0.238131D+01  0.778169D+00 -0.473424D+00 -0.357755D-01  0.615554D+00
      3  -0.826901D-01  0.154473D+01 -0.140879D+01  0.356477D+01 -0.326172D+01
               246           247           248           249           250 
      1   0.119780D+01  0.395690D+00 -0.491419D+00 -0.383054D+01  0.197478D+00
      2   0.122054D+01  0.213298D+00  0.519962D+00 -0.335194D+01 -0.156137D+01
      3  -0.250060D+00 -0.232869D+01  0.198693D+02 -0.115036D+01 -0.131711D+00
               251           252           253           254           255 
      1   0.158993D+01  0.507693D-01 -0.743843D+00  0.250903D+00  0.874467D+00
      2  -0.111527D+00  0.345661D+00 -0.692853D+01  0.657066D+00 -0.244530D+01
      3  -0.188519D+01  0.261264D+00 -0.159240D+01  0.103977D+01 -0.113108D+01
               256           257           258           259           260 
      1  -0.331247D+00 -0.121936D+01 -0.159238D+01 -0.132592D+01  0.193195D+01
      2  -0.362029D+01 -0.104731D+02  0.163663D+02  0.110412D+02  0.158880D+02
      3  -0.743504D+01 -0.165835D+02  0.120667D+02  0.501487D+01  0.128086D+02
               261           262           263           264           265 
      1   0.322618D+01 -0.362745D+00 -0.345276D+00 -0.229937D+00 -0.202804D+01
      2  -0.354940D+02  0.924020D+01  0.304953D+01  0.168884D+01  0.670810D+01
      3  -0.174197D+02 -0.508746D+01 -0.273126D+01 -0.224117D+01 -0.127356D+02
               266           267           268           269           270 
      1  -0.253776D+01 -0.404001D+01 -0.305835D+01 -0.100491D+01 -0.479080D+01
      2   0.117969D+02  0.157284D+02  0.108926D+02  0.152939D+02  0.211207D+02
      3  -0.245573D+02 -0.121027D+02 -0.829990D+01 -0.154866D+02 -0.152959D+02
               271           272           273           274           275 
      1   0.168195D+01 -0.105950D+01  0.269048D-01 -0.135660D+01  0.872534D+00
      2   0.145665D+00  0.417654D+00  0.827265D+01  0.911697D+00  0.372469D+00
      3   0.220588D+02 -0.125904D+02 -0.207040D+01 -0.155588D+02  0.125558D+02
               276           277           278           279 
      1  -0.857087D+00 -0.111934D+01  0.365442D+00  0.191164D+00
      2  -0.272494D+01  0.906098D+01  0.186418D-01 -0.224813D+01
      3   0.808264D+00 -0.202611D+01  0.172207D+00  0.349365D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.930761D+02 -0.479065D+02  0.118435D+02  0.877038D+02 -0.626140D+01
      2   0.532980D+02  0.294331D+02 -0.840882D+01 -0.433473D+02  0.921322D+01
      3   0.397781D+02  0.184734D+02 -0.343468D+01 -0.443565D+02 -0.295182D+01
      4  -0.432918D+02  0.392837D+01  0.249130D+01 -0.486494D+01  0.864045D+01
      5   0.127940D+02  0.209443D+01 -0.250384D+01  0.248663D+01  0.183478D+01
      6   0.549306D+00 -0.504419D+01  0.551960D+00  0.357842D+01  0.186674D+01
                 6             7             8             9            10 
      1  -0.931278D+01  0.206552D+01  0.505129D+01 -0.116662D+02  0.760759D+02
      2   0.328957D+01 -0.319183D+01 -0.425417D+01 -0.273994D+00 -0.297493D+02
      3   0.602321D+01  0.112631D+01 -0.797120D+00  0.119402D+02 -0.463266D+02
      4  -0.149837D+00  0.504289D+01 -0.393193D+00 -0.207268D+00  0.208082D+01
      5  -0.113111D+01 -0.180270D+01  0.163264D+01  0.310851D+01 -0.917514D+01
      6  -0.101870D+01 -0.281950D+01  0.272474D+01  0.208015D+01  0.298390D+00
                11            12            13            14            15 
      1  -0.128812D+02 -0.755614D+01 -0.104122D+03 -0.292072D+02  0.119194D+02
      2   0.101755D+02  0.936255D+00  0.487540D+02  0.235291D+02 -0.792327D+01
      3   0.270565D+01  0.661988D+01  0.553677D+02  0.567801D+01 -0.399609D+01
      4   0.502463D+01 -0.184319D+01 -0.203705D+02 -0.144859D+02  0.250263D+01
      5  -0.550125D+00 -0.653283D+01  0.304214D+00  0.269900D-01 -0.954491D-01
      6  -0.108804D+01 -0.619322D+00 -0.125308D+01 -0.534663D+01 -0.530926D+00
                16            17            18            19            20 
      1   0.660675D+00  0.353512D+01 -0.860828D+01  0.591980D+02  0.521043D+02
      2  -0.271228D+01 -0.265717D+01 -0.143176D+01 -0.355027D+02 -0.366997D+02
      3   0.205160D+01 -0.877947D+00  0.100400D+02 -0.236954D+02 -0.154046D+02
      4   0.194647D+01  0.131604D+01 -0.221489D+01  0.403223D+02 -0.747600D+01
      5   0.163753D+01 -0.181648D+01  0.348998D+01 -0.938166D+01 -0.383515D+01
      6  -0.140641D+01  0.432218D+01  0.336357D+00 -0.127050D+00  0.107956D+02
                21            22            23            24            25 
      1  -0.149396D+02 -0.111242D+02  0.217861D+02 -0.671849D+01 -0.658397D+01
      2   0.862835D+01  0.162644D+02 -0.261258D+02  0.351323D+01  0.206976D+00
      3   0.631125D+01 -0.514027D+01  0.433968D+01  0.320526D+01  0.637699D+01
      4  -0.332743D+01  0.157090D+02  0.110956D+01 -0.129414D+01 -0.109711D+02
      5  -0.165802D+01 -0.384111D+01 -0.121440D+01 -0.500539D+01  0.669027D+01
      6  -0.814988D+00 -0.284177D+01  0.804503D+01  0.423238D+01  0.532198D+00
                26            27            28            29            30 
      1  -0.165509D+02 -0.604974D+01  0.114503D+02 -0.119208D+01  0.780973D+01
      2   0.985525D+01 -0.494949D+01 -0.186666D+02  0.400500D+01 -0.337325D+01
      3   0.669567D+01  0.109992D+02  0.721631D+01 -0.281292D+01 -0.443648D+01
      4  -0.956368D+00 -0.317378D+01 -0.836976D+01  0.996489D+01 -0.136331D+01
      5  -0.794024D+01  0.414165D+01  0.772411D+01 -0.179514D+01  0.728271D+01
      6   0.869564D+01  0.327570D+01  0.182944D+01 -0.461814D+01  0.129846D+01
                31            32            33            34            35 
      1  -0.336673D+02 -0.670536D+02  0.963673D+01  0.135118D+02  0.104261D+02
      2   0.273999D+02  0.571888D+02 -0.106109D+02 -0.114483D+01 -0.785276D+01
      3   0.626741D+01  0.986481D+01  0.974121D+00 -0.123670D+02 -0.257333D+01
      4  -0.386296D+02  0.620553D+01 -0.137856D+01  0.855187D+01 -0.329075D+01
      5   0.873765D+01  0.143185D+01 -0.166728D+00  0.240270D+02  0.465323D+01
      6   0.125562D+01 -0.167811D+02 -0.926858D+00 -0.515303D+00  0.578816D+01
                36            37            38            39            40 
      1  -0.634117D+01 -0.112918D+02 -0.630670D+02  0.102490D+02  0.294069D+02
      2  -0.675965D+01  0.492117D+01  0.487655D+02 -0.428890D+01 -0.287583D+02
      3   0.131008D+02  0.637066D+01  0.143015D+02 -0.596013D+01 -0.648607D+00
      4  -0.653280D+00 -0.119114D+02 -0.753676D+01  0.464826D+01  0.138158D+02
      5  -0.181391D+01 -0.925648D+00  0.863505D+01  0.379064D+01  0.900426D+00
      6   0.852462D+00  0.625974D+01 -0.917226D+01  0.876598D+01  0.389177D+01
                41            42            43            44            45 
      1   0.423231D+02 -0.620055D+01  0.554047D+01  0.644334D+01 -0.150343D+02
      2  -0.382184D+02  0.714349D+01  0.692925D+01  0.112151D+00 -0.951699D+00
      3  -0.410471D+01 -0.942943D+00 -0.124697D+02 -0.655549D+01  0.159860D+02
      4  -0.168506D+02  0.336453D+01  0.907739D+01  0.490614D+01  0.775969D+01
      5   0.695816D+00  0.479298D+01  0.151563D+02  0.429522D+01 -0.553189D+01
      6   0.131941D+02 -0.613782D+00  0.179449D+02  0.920964D+01 -0.741364D+01
                46            47            48            49            50 
      1   0.219328D+02  0.490078D+02 -0.123763D+02 -0.965015D+01  0.657331D+01
      2  -0.158862D+02 -0.357488D+02  0.541629D+01  0.827148D+01 -0.155567D+02
      3  -0.604661D+01 -0.132590D+02  0.696006D+01  0.137866D+01  0.898335D+01
      4   0.426496D+01 -0.878747D+01  0.235626D+00  0.728647D+01  0.109266D+02
      5   0.910649D+01 -0.192334D+01 -0.748282D+00  0.146887D+01 -0.140654D+01
      6  -0.169032D+01  0.124860D+02 -0.844516D+01 -0.258663D+01  0.497658D+01
                51            52            53            54            55 
      1  -0.143608D+01 -0.403899D+01 -0.684855D+01 -0.206907D+02  0.135937D+02
      2   0.462468D+01  0.464386D+00  0.138403D+02  0.981552D+01 -0.157690D+02
      3  -0.318861D+01  0.357460D+01 -0.699179D+01  0.108752D+02  0.217531D+01
      4  -0.196864D+01 -0.172418D+01  0.246357D+01 -0.382192D+01  0.341611D+02
      5  -0.655968D-01  0.350175D+01 -0.269145D+00  0.416789D+01 -0.114919D+02
      6   0.703598D+01 -0.599484D+01  0.206751D+02 -0.395260D+01 -0.209141D+01
                56            57            58            59            60 
      1   0.535344D+02 -0.982333D+01  0.391061D+01  0.253386D+02 -0.425990D+01
      2  -0.343999D+02  0.507681D+01  0.446484D+00 -0.256172D+02  0.390380D+01
      3  -0.191346D+02  0.474653D+01 -0.435710D+01  0.278538D+00  0.356099D+00
      4  -0.354834D+02 -0.248512D+00  0.291481D+02  0.133957D+02 -0.168800D+01
      5  -0.775109D+00 -0.785201D+01 -0.431856D+01 -0.618591D+00  0.558895D+01
      6   0.477115D+01 -0.662274D+01 -0.173096D+01  0.510117D+01  0.622986D+01
                61            62            63            64            65 
      1  -0.347743D+01 -0.974717D+01 -0.182686D+02  0.132102D+01 -0.231010D+00
      2   0.252364D+01  0.101313D+02  0.654583D+01  0.171193D+01 -0.129641D+01
      3   0.953792D+00 -0.384097D+00  0.117228D+02 -0.303295D+01  0.152742D+01
      4  -0.532690D+01  0.767600D+01  0.106063D+02 -0.703620D+01  0.912702D+01
      5   0.280210D+01  0.125763D+02  0.109569D+01 -0.236043D+01  0.164084D+01
      6  -0.882588D+00  0.197551D+02  0.459523D-01  0.193271D+01 -0.152826D+01
                66            67            68            69            70 
      1  -0.581799D+00  0.388819D+01 -0.211005D+02 -0.534496D-01 -0.241424D+01
      2   0.276400D+00 -0.733344D+01  0.270583D+02 -0.162758D-01  0.178491D+01
      3   0.305399D+00  0.344525D+01 -0.595781D+01  0.697254D-01  0.629329D+00
      4   0.602984D+00  0.122194D+02 -0.176829D+02 -0.242006D+00  0.297105D+00
      5   0.887053D+00  0.159003D+01 -0.367892D+00 -0.211157D+01  0.677090D+00
      6  -0.631835D+00 -0.226116D+01  0.426122D+01  0.496564D+01 -0.206206D+01
                71            72            73            74            75 
      1   0.228601D+01 -0.278686D+01  0.514261D+01 -0.352776D+01  0.134645D+01
      2  -0.211594D+01  0.320269D+01  0.467034D+01  0.107347D+02 -0.106136D+01
      3  -0.170072D+00 -0.415828D+00 -0.981295D+01 -0.720693D+01 -0.285096D+00
      4   0.713504D+00 -0.838884D+00  0.279199D+02  0.232926D+02 -0.514429D+01
      5   0.213825D+00 -0.143715D+00 -0.866301D+01 -0.535608D+01  0.536304D+01
      6   0.222610D+01 -0.353938D+00 -0.739662D+01 -0.676086D+01  0.478371D+01
                76            77            78            79            80 
      1  -0.774164D+01 -0.147890D+02  0.417430D+01 -0.210006D+00  0.251215D+01
      2   0.164915D+02  0.252936D+02 -0.376704D+01 -0.240169D+01 -0.288547D+01
      3  -0.874982D+01 -0.105045D+02 -0.407264D+00  0.261170D+01  0.373321D+00
      4   0.269096D+02  0.305151D+02 -0.581488D+01 -0.632108D+01 -0.534930D+01
      5  -0.583069D+01 -0.625195D+01  0.463861D+01  0.229506D+01  0.377842D+01
      6  -0.873700D+01 -0.107634D+02  0.729922D+01  0.110439D+01  0.484995D+01
                81            82            83            84            85 
      1  -0.739481D+00 -0.530873D+01  0.922980D+01 -0.452252D+00  0.622622D+01
      2   0.161028D+01  0.810429D+01 -0.131363D+02  0.494850D+00 -0.785925D+01
      3  -0.870804D+00 -0.279556D+01  0.390647D+01 -0.425972D-01  0.163303D+01
      4   0.414096D+01 -0.526506D+01  0.130948D+02 -0.124835D+01  0.776825D+01
      5  -0.212948D+01  0.162438D+01 -0.260374D+01  0.204311D+01 -0.151994D+01
      6  -0.260535D+01 -0.178140D+01  0.205056D+01 -0.212603D+01  0.210875D+01
                86            87            88            89            90 
      1  -0.537135D+02  0.590330D+01 -0.267255D+00  0.420807D+01 -0.296006D+01
      2   0.717932D+02 -0.542675D+01  0.734046D+00 -0.471749D+01  0.350146D+01
      3  -0.180797D+02 -0.476554D+00 -0.466790D+00  0.509416D+00 -0.541401D+00
      4  -0.145927D+02  0.162312D+01 -0.850922D+00 -0.186831D+00 -0.179998D+01
      5   0.469894D+01 -0.165424D+01  0.112778D+01 -0.179446D+01  0.228082D+00
      6  -0.137899D+02  0.946602D+01  0.631141D+00  0.556576D+01 -0.187297D+01
                91            92            93            94            95 
      1  -0.312043D+02 -0.181181D+02 -0.110311D+02 -0.116713D+02 -0.370324D+00
      2   0.258985D+02  0.152505D+02  0.568420D+01  0.115605D+02  0.726242D+00
      3   0.530575D+01  0.286756D+01  0.534694D+01  0.110772D+00 -0.355918D+00
      4  -0.135853D+02 -0.110969D+02  0.134417D+01 -0.210159D+02  0.121891D+02
      5  -0.150868D+02  0.128494D+01 -0.238717D+02  0.543843D+01  0.269108D+02
      6   0.216529D+01  0.434002D+01 -0.153602D-01  0.715061D+01 -0.367219D+01
                96            97            98            99           100 
      1   0.800003D+01 -0.276462D+02 -0.512455D+00 -0.191693D+02 -0.599429D+02
      2  -0.975792D+01  0.190718D+02 -0.417060D+01  0.133476D+02  0.329642D+02
      3   0.175789D+01  0.857440D+01  0.468306D+01  0.582177D+01  0.269787D+02
      4   0.266291D+02  0.584893D+00  0.211329D+02 -0.913427D+01  0.287793D+02
      5  -0.427913D+01 -0.412146D+02 -0.112556D+02  0.227918D+00  0.291640D+02
      6  -0.904843D+01 -0.402569D+01 -0.338318D+01  0.618393D+01 -0.689182D+01
               101           102           103           104           105 
      1   0.258226D+02  0.266455D+02  0.830924D+01  0.577953D+01 -0.547250D+01
      2  -0.185129D+02 -0.577654D+01 -0.922223D+01 -0.558475D+01  0.190683D+02
      3  -0.730966D+01 -0.208690D+02  0.912983D+00 -0.194779D+00 -0.135958D+02
      4   0.988169D+01 -0.102429D+01  0.166879D+02 -0.155128D+02 -0.259270D+02
      5  -0.444390D+00  0.195931D+02  0.173296D+01 -0.274004D+02  0.597959D+01
      6  -0.377401D+01 -0.120447D+02 -0.705927D+01  0.136604D+02 -0.101664D+01
               106           107           108           109           110 
      1   0.185316D+02  0.403566D+00  0.370458D+02 -0.903745D+02 -0.127453D+02
      2  -0.668658D+01  0.149341D+02 -0.150001D+02  0.353249D+02  0.468822D+00
      3  -0.118450D+02 -0.153377D+02 -0.220457D+02  0.550496D+02  0.122765D+02
      4   0.213707D+01 -0.175158D+02  0.880360D+01 -0.231418D+02 -0.225645D+02
      5   0.144750D+02  0.147917D+02  0.128969D+02 -0.143306D+02 -0.653892D+01
      6  -0.800016D+01 -0.650117D+01 -0.144072D+02 -0.229933D+01 -0.237186D+01
               111           112           113           114           115 
      1  -0.674381D+01 -0.108134D+02 -0.824831D+01 -0.412269D+01  0.323367D+02
      2   0.152608D+01  0.107416D+01  0.657752D+01  0.976431D+00 -0.255445D+02
      3   0.521773D+01  0.973925D+01  0.167078D+01  0.314626D+01 -0.679220D+01
      4  -0.477562D+01  0.849343D+01 -0.856105D+01 -0.173177D+01 -0.347653D+01
      5  -0.108065D+02 -0.448807D+01 -0.285252D+01 -0.446333D+00  0.299069D+02
      6  -0.189931D+01 -0.431445D+01 -0.424189D+00  0.261165D+01  0.646748D+01
               116           117           118           119           120 
      1   0.947815D-01  0.228796D+02  0.161989D+02  0.951131D+01 -0.625090D+01
      2  -0.186378D+01 -0.707238D+01 -0.123157D+02 -0.679037D+01  0.568726D+01
      3   0.176900D+01 -0.158072D+02 -0.388313D+01 -0.272094D+01  0.563636D+00
      4  -0.229888D+01  0.234790D+01  0.156859D+02  0.117532D+02 -0.522358D+01
      5   0.352339D+01  0.483650D+01 -0.160089D+02 -0.635766D+01  0.168688D+02
      6  -0.226424D+01 -0.897786D+00 -0.566439D+01 -0.311482D+01  0.301497D+01
               121           122           123           124           125 
      1   0.181539D+02  0.221516D+01 -0.102464D+01 -0.780428D+01 -0.298036D+00
      2  -0.117894D+02 -0.153402D+01  0.339061D+01  0.868979D+01  0.439174D+01
      3  -0.636448D+01 -0.681144D+00 -0.236596D+01 -0.885502D+00 -0.409370D+01
      4   0.146857D+02  0.197294D+02 -0.155534D+02 -0.677618D+01 -0.150624D+02
      5  -0.114499D+02 -0.162947D+02  0.141204D+02  0.237725D+02  0.134087D+02
      6  -0.485362D+01 -0.891812D+01  0.887747D+01  0.467566D+01  0.763792D+01
               126           127           128           129           130 
      1   0.203072D+01 -0.711970D+01 -0.959780D+01 -0.207279D+02 -0.191429D+01
      2  -0.109561D+02  0.238315D+00  0.624417D+01  0.438476D+01  0.136199D+01
      3   0.892533D+01  0.688139D+01  0.335364D+01  0.163432D+02  0.552304D+00
      4   0.131345D+02  0.431611D+00 -0.498777D+01 -0.286632D+00 -0.548672D+00
      5  -0.276091D+02 -0.503279D+01 -0.323551D+01 -0.841099D+01  0.549464D+00
      6  -0.829469D+01  0.450150D+01  0.568945D+01  0.102699D+02  0.145993D+01
               131           132           133           134           135 
      1  -0.111660D+02 -0.898422D+01 -0.126119D+02 -0.121795D+02 -0.386851D+02
      2   0.616190D+01  0.384231D+01  0.419604D+01  0.329497D+01 -0.196662D+01
      3   0.500411D+01  0.514190D+01  0.841589D+01  0.888454D+01  0.406517D+02
      4  -0.416181D+01 -0.476428D+01  0.664363D+01 -0.101222D+02 -0.110888D+02
      5  -0.448104D+01 -0.721366D+01  0.412643D+01 -0.151564D+02 -0.405962D+02
      6   0.729746D+01  0.120344D+02  0.921668D+00  0.151386D+02  0.290001D+02
               136           137           138           139           140 
      1   0.342462D+00 -0.981954D+01  0.150053D+01 -0.732205D+01 -0.174764D+02
      2   0.296484D+01  0.896708D+01 -0.314285D+01  0.279140D+01  0.313961D+02
      3  -0.330730D+01  0.852462D+00  0.164232D+01  0.453065D+01 -0.139197D+02
      4  -0.405837D+01 -0.253831D+01 -0.918582D+00  0.717359D+01 -0.279342D+02
      5   0.205454D+01  0.120162D+01 -0.444396D+01  0.113069D+01  0.122631D+02
      6  -0.144302D+01  0.567570D+00  0.335713D+01  0.972265D-01 -0.349356D+01
               141           142           143           144           145 
      1   0.572190D+01  0.518207D+01  0.677409D+01 -0.104687D+02  0.947694D+02
      2  -0.124586D+02 -0.212570D+01 -0.160612D+02  0.112246D+02 -0.480611D+02
      3   0.673674D+01 -0.305637D+01  0.928708D+01 -0.755930D+00 -0.467083D+02
      4   0.101627D+02 -0.767620D+01  0.198757D+02 -0.851111D+01 -0.504771D+02
      5  -0.105525D+02 -0.206492D+01 -0.105331D+02  0.141857D+02 -0.382976D+02
      6   0.713712D+01  0.144443D+01  0.603411D+01 -0.745256D+01  0.100844D+02
               146           147           148           149           150 
      1  -0.182881D+02 -0.139083D+02 -0.896633D+01  0.973281D+01  0.165999D+01
      2   0.536687D+01  0.944764D+01  0.510597D+00 -0.228694D+01 -0.153499D+01
      3   0.129212D+02  0.446064D+01  0.845574D+01 -0.744588D+01 -0.124993D+00
      4   0.239799D+02  0.100330D+02  0.180758D+02 -0.887743D+01 -0.119640D+01
      5   0.101147D+02  0.184529D+02  0.361958D+01 -0.269193D+01 -0.188682D+01
      6  -0.569987D+01 -0.559936D+01 -0.423543D+01  0.106359D+01  0.238275D+01
               151           152           153           154           155 
      1  -0.932475D+01  0.177531D+01  0.640661D+01  0.200363D+03  0.252690D+02
      2   0.774429D+01 -0.300615D+01 -0.572017D+01 -0.937807D+02 -0.853449D+01
      3   0.158046D+01  0.123084D+01 -0.686443D+00 -0.106582D+03 -0.167345D+02
      4   0.514676D+01 -0.518932D+00 -0.670870D+01  0.352550D+02  0.423617D+02
      5   0.173878D+02 -0.575671D+01 -0.103238D+02  0.383566D+02  0.771033D+01
      6  -0.479813D+01  0.323667D+01  0.397028D+01  0.925736D+00  0.476898D+01
               156           157           158           159           160 
      1   0.104285D+02  0.231511D+02  0.336904D+02  0.390189D+00  0.128474D+02
      2  -0.107356D+02 -0.646744D+01 -0.108457D+02 -0.641026D+00 -0.117631D+02
      3   0.307137D+00 -0.166837D+02 -0.228447D+02  0.250838D+00 -0.108427D+01
      4   0.558081D+01  0.489544D+02  0.251582D+02  0.504462D+01  0.475477D+01
      5   0.399198D+02  0.471249D+01  0.867502D+01  0.574327D+01  0.405952D+02
      6   0.138818D+01  0.902839D+01  0.362647D+01  0.582781D+01  0.229684D+01
               161           162           163           164           165 
      1   0.124519D+01  0.237077D+02  0.498871D+02  0.539441D+01  0.177509D+02
      2  -0.116689D+01 -0.164472D+02 -0.344291D+02 -0.219762D+01 -0.106883D+02
      3  -0.783075D-01 -0.726050D+01 -0.154581D+02 -0.319679D+01 -0.706267D+01
      4   0.375735D+01  0.639787D+01  0.644706D+01  0.622622D+01 -0.101091D+01
      5   0.690072D+01  0.123305D+02  0.333453D+02 -0.431159D+00  0.194312D+02
      6   0.509414D+01  0.179519D+01  0.320916D+01  0.732553D+00  0.529216D+00
               166           167           168           169           170 
      1   0.950684D+01 -0.114013D+02 -0.214505D+00 -0.121200D+01 -0.179067D+01
      2  -0.556299D+01  0.395376D+01  0.606838D+00 -0.197716D+01  0.124794D+01
      3  -0.394385D+01  0.744749D+01 -0.392333D+00  0.318916D+01  0.542735D+00
      4   0.182730D+01 -0.251333D+01  0.874905D+01 -0.169252D+01  0.448837D+01
      5   0.349790D+01  0.779552D+01 -0.888132D+00  0.129076D+02  0.774924D-02
      6   0.160909D+01  0.198182D+00  0.116463D+02 -0.154744D+01  0.101453D+02
               171           172           173           174           175 
      1  -0.316805D+02 -0.491531D+02 -0.193677D+01  0.175170D+01 -0.760753D+01
      2  -0.109469D+02  0.307675D+02  0.131943D+01  0.697506D+01  0.543776D+01
      3   0.426275D+02  0.183856D+02  0.617336D+00 -0.872676D+01  0.216977D+01
      4  -0.109232D+01 -0.346653D+01 -0.372280D+01  0.272353D+00  0.383213D+00
      5   0.364421D+02 -0.260500D+02  0.434242D+00 -0.156783D+02 -0.267353D+01
      6  -0.893891D+00 -0.285156D+01 -0.290229D+01  0.669751D-01 -0.761783D+00
               176           177           178           179           180 
      1  -0.327770D+01  0.733495D+00 -0.145758D+02 -0.726157D+00 -0.849035D+01
      2   0.206940D+01  0.811576D+00  0.138155D+02  0.799654D+00  0.568431D+01
      3   0.120830D+01 -0.154507D+01  0.760287D+00 -0.734975D-01  0.280605D+01
      4  -0.987102D-01  0.228738D+01 -0.153191D+01 -0.634071D+00 -0.211272D+00
      5   0.217550D+01 -0.226616D+01 -0.142582D+02 -0.152856D-01 -0.574377D+01
      6  -0.950495D+00  0.236904D+01 -0.835575D+00  0.438860D+00 -0.840814D+00
               181           182           183           184           185 
      1  -0.232665D+01 -0.548742D+02  0.775743D+01  0.865120D+02  0.317058D+02
      2   0.475709D+01  0.383042D+02 -0.410468D+01 -0.607555D+02 -0.257504D+02
      3  -0.243044D+01  0.165700D+02 -0.365275D+01 -0.257565D+02 -0.595536D+01
      4  -0.261656D+02  0.392585D+02  0.344978D+01  0.252771D+02 -0.347135D+02
      5   0.116882D+02  0.422669D+01  0.120615D+02 -0.572041D+01  0.580955D+01
      6   0.489599D+01  0.335353D+00  0.775379D+01  0.423808D+01  0.480599D+01
               186           187           188           189           190 
      1  -0.100704D+02 -0.381774D+01  0.636719D+01  0.130141D+01  0.157469D+03
      2   0.803639D+01  0.701252D+01 -0.184268D+01 -0.873620D+01 -0.852878D+02
      3   0.203401D+01 -0.319478D+01 -0.452451D+01  0.743479D+01 -0.721814D+02
      4   0.377801D+01  0.744507D+01  0.356381D+01  0.156454D+02  0.752831D+01
      5   0.807236D+01  0.267907D+02  0.153865D+02 -0.673908D+01 -0.440251D+01
      6   0.232406D+01  0.153882D+02  0.830056D+01 -0.299966D+01  0.276293D+01
               191           192           193           194           195 
      1   0.258796D+02 -0.152981D+02 -0.304212D+02 -0.299099D+02  0.903845D+01
      2  -0.149036D+02  0.530137D+01  0.295841D+02  0.302901D+02 -0.939498D+01
      3  -0.109760D+02  0.999676D+01  0.837062D+00 -0.380130D+00  0.356531D+00
      4   0.305155D+02 -0.415715D+01 -0.256096D+02  0.606130D+02 -0.344848D+01
      5  -0.541060D+01  0.309708D+01  0.100492D+02 -0.617328D+01 -0.133474D+01
      6   0.216096D+01 -0.325393D+01  0.955467D+00 -0.380707D+01 -0.296985D+01
               196           197           198           199           200 
      1  -0.459105D+01  0.330688D+01  0.250105D+02 -0.114234D+03 -0.100460D+01
      2   0.137828D+01 -0.336336D+01 -0.223532D+02  0.492907D+02 -0.252802D+01
      3   0.321278D+01  0.564760D-01 -0.265738D+01  0.649435D+02  0.353263D+01
      4   0.658659D+01 -0.915631D+01  0.152536D+00 -0.445483D+01 -0.355882D+02
      5   0.488953D+02  0.558517D+01 -0.564121D+01  0.108408D+02  0.164797D+01
      6  -0.224350D+01  0.323953D+01  0.309182D+01 -0.276735D+01  0.286106D+01
               201           202           203           204           205 
      1   0.888782D+01 -0.808504D+02 -0.585947D+01  0.553941D+01  0.204668D+02
      2  -0.345937D+01  0.506653D+02 -0.920245D+01 -0.182719D+01 -0.113093D+02
      3  -0.542845D+01  0.301851D+02  0.150619D+02 -0.371223D+01 -0.915750D+01
      4   0.163251D+01 -0.291911D+01 -0.176391D+02 -0.700992D+00 -0.210658D+01
      5   0.394947D+01  0.557118D+01  0.452957D+00 -0.880952D+01  0.149469D+01
      6   0.406872D+00 -0.363148D+01  0.369729D+01  0.529684D+01 -0.243110D+01
               206           207           208           209           210 
      1  -0.494557D+01 -0.195250D+02 -0.202963D+02 -0.303419D+02  0.100221D+02
      2   0.666940D+01  0.367184D+01  0.955574D+01  0.168836D+02 -0.168316D+01
      3  -0.172383D+01  0.158532D+02  0.107406D+02  0.134583D+02 -0.833895D+01
      4   0.294743D+01 -0.224359D+02 -0.252781D+02  0.851541D+01  0.441087D+01
      5  -0.243506D+02  0.920639D+01  0.446879D+01  0.447993D+01  0.253218D+02
      6   0.154849D+02 -0.568248D+00  0.731219D+00 -0.242180D+01  0.352473D+01
               211           212           213           214           215 
      1   0.110427D+00  0.108422D+02  0.817403D+00  0.521357D+01  0.142790D+01
      2  -0.444172D+01 -0.296376D+01  0.175991D+01 -0.167660D+01 -0.602100D+00
      3   0.433130D+01 -0.787844D+01 -0.257731D+01 -0.353697D+01 -0.825800D+00
      4   0.337128D+02 -0.187148D+02 -0.470975D+00 -0.689811D+00  0.886169D-01
      5  -0.150063D+00  0.159091D+01  0.763457D+01  0.876539D+01 -0.650999D+01
      6  -0.769788D+00  0.218459D+01  0.720761D+01 -0.345671D+01  0.430191D+01
               216           217           218           219           220 
      1  -0.129020D+01 -0.581998D+02  0.471813D+02 -0.242951D+00  0.544681D+02
      2  -0.223938D+00  0.323994D+02 -0.253869D+02 -0.139805D+01 -0.273225D+02
      3   0.151414D+01  0.258004D+02 -0.217944D+02  0.164100D+01 -0.271456D+02
      4  -0.733003D+01  0.462372D+02 -0.479777D+01 -0.123080D+02 -0.333944D+02
      5  -0.365431D+01  0.465593D+00 -0.130679D+02 -0.827017D+01 -0.150648D+02
      6  -0.758281D+00 -0.536036D+01 -0.650501D+00 -0.130297D+01 -0.681322D+00
               221           222           223           224           225 
      1  -0.114205D+02 -0.195481D+02 -0.278024D+01 -0.154820D+02  0.245745D+01
      2   0.489926D+01  0.183236D+01 -0.280248D+01  0.223933D+01  0.122679D+01
      3   0.652129D+01  0.177158D+02  0.558272D+01  0.132427D+02 -0.368423D+01
      4  -0.235676D+02 -0.879603D+01 -0.124960D+02 -0.904051D+01 -0.450043D+02
      5  -0.975510D+01 -0.675137D+02 -0.227935D+02 -0.466721D+02  0.204682D+02
      6  -0.107323D+01 -0.142619D+02 -0.859784D+01 -0.106992D+02  0.705218D+01
               226           227           228           229           230 
      1  -0.587818D+01  0.141735D+02 -0.596306D+00  0.554580D+01 -0.491792D+02
      2   0.678366D+01 -0.138615D+02  0.631301D+00 -0.486591D+01  0.613289D+02
      3  -0.905475D+00 -0.311986D+00 -0.349945D-01 -0.679895D+00 -0.121497D+02
      4   0.128411D+01  0.449635D+01 -0.740469D+00  0.302681D+01  0.198082D+02
      5   0.236180D+00 -0.105207D+01  0.985877D+00 -0.150858D+00  0.126167D+01
      6  -0.187467D+00 -0.979474D-01 -0.159049D+01  0.464694D+00 -0.277359D+01
               231           232           233           234           235 
      1   0.380376D+01  0.137836D+00  0.285234D+01 -0.252032D+01  0.379879D+02
      2  -0.369947D+01  0.317331D-01 -0.363486D+01  0.319092D+01 -0.134999D+02
      3  -0.104286D+00 -0.169569D+00  0.782522D+00 -0.670599D+00 -0.244879D+02
      4  -0.117757D+01 -0.401561D+00 -0.221370D+01 -0.848821D+00  0.335185D+02
      5   0.207226D+01  0.147915D+01 -0.307024D+00 -0.152291D+00 -0.749943D+01
      6   0.729858D+01 -0.729643D-02  0.380885D+01 -0.940397D+00 -0.313347D+01
               236           237           238           239           240 
      1   0.139740D+02 -0.507239D+01  0.188096D+02  0.768251D+01 -0.203766D+01
      2  -0.962249D+00  0.206422D+01  0.144010D+01  0.107008D+02 -0.445034D+00
      3  -0.130117D+02  0.300817D+01 -0.202497D+02 -0.183833D+02  0.248270D+01
      4   0.255066D+02 -0.531795D+01  0.385597D+02  0.403322D+02 -0.704134D+01
      5  -0.379079D+01  0.484451D+01 -0.615994D+01 -0.469050D+01  0.632701D+01
      6  -0.232586D+01  0.260050D+01 -0.396339D+01 -0.448423D+01  0.502323D+01
               241           242           243           244           245 
      1  -0.689978D+01 -0.226870D+01 -0.219496D+00  0.146183D+01 -0.667685D+01
      2   0.169415D+01 -0.601420D+00  0.106752D+01  0.448942D+01 -0.209451D+01
      3   0.520563D+01  0.287012D+01 -0.848021D+00 -0.595125D+01  0.877136D+01
      4  -0.822929D+01 -0.685555D+01  0.390766D+01 -0.198955D+02  0.208715D+02
      5   0.246139D+00  0.280652D+01 -0.171355D+01  0.257889D+01 -0.147249D+01
      6   0.375722D+00  0.242017D+01 -0.133984D+01 -0.916732D+00  0.169675D+00
               246           247           248           249           250 
      1   0.939727D+00 -0.287698D+01 -0.154524D+02  0.917173D+00  0.533767D+00
      2  -0.424100D+00 -0.855723D+01  0.329254D+02 -0.703015D+00 -0.132592D+00
      3  -0.515627D+00  0.114342D+02 -0.174730D+02 -0.214158D+00 -0.401176D+00
      4  -0.409820D+00  0.280967D+02 -0.536036D+02  0.274769D+01 -0.976067D+00
      5   0.276303D+01 -0.298883D+01  0.594092D+01 -0.649779D+01  0.256647D+01
      6  -0.171079D+01  0.149902D+01 -0.306379D+01  0.655096D+01 -0.293899D+01
               251           252           253           254           255 
      1   0.203503D+01 -0.135188D+01  0.126813D+01  0.257575D+01 -0.147308D+02
      2  -0.204225D+01  0.281155D+01 -0.228370D+01 -0.136335D+01  0.605315D+01
      3   0.722442D-02 -0.145968D+01  0.101556D+01 -0.121240D+01  0.867764D+01
      4   0.314519D+01 -0.269783D+01  0.105524D+01 -0.356246D+00 -0.185182D+01
      5  -0.168495D+01  0.735970D+00 -0.123065D+02 -0.121707D+01 -0.159461D+00
      6   0.342113D+01 -0.959278D+00 -0.231389D+01  0.380361D+00 -0.105093D+01
               256           257           258           259           260 
      1   0.953589D+01  0.261436D+01  0.789017D+00 -0.328518D+02 -0.645215D+00
      2  -0.553924D+01 -0.637013D+00  0.177917D+01  0.220850D+02  0.305889D+01
      3  -0.399665D+01 -0.197735D+01 -0.256819D+01  0.107668D+02 -0.241368D+01
      4   0.203026D+02  0.257167D+02 -0.208246D+02 -0.148410D+02 -0.201402D+02
      5  -0.126892D+02 -0.202710D+02  0.321720D+02  0.352770D+02  0.293713D+02
      6  -0.463530D+01 -0.843034D+01  0.115519D+02  0.762517D+01  0.106408D+02
               261           262           263           264           265 
      1   0.544941D+00  0.195805D+02  0.899194D+01  0.143173D+02  0.248699D+02
      2  -0.142684D+02 -0.854970D+01 -0.352257D+01 -0.692797D+01 -0.923108D+01
      3   0.137235D+02 -0.110308D+02 -0.546937D+01 -0.738937D+01 -0.156388D+02
      4   0.284552D+02  0.109270D+02  0.755036D+01  0.769401D+01  0.343841D+02
      5  -0.670665D+02  0.169671D+02  0.724111D+01  0.433513D+01  0.174871D+02
      6  -0.148097D+02  0.342149D+01  0.994568D+00  0.558507D-01  0.425575D+01
               266           267           268           269           270 
      1   0.140010D+02  0.811514D+01  0.422175D+02  0.117449D+02  0.882449D+01
      2   0.267071D+00 -0.126493D+00 -0.205523D+02 -0.283276D+01 -0.613944D+01
      3  -0.142680D+02 -0.798865D+01 -0.216652D+02 -0.891218D+01 -0.268505D+01
      4   0.424428D+02  0.235393D+02  0.243237D+02  0.274932D+02  0.279094D+02
      5   0.247284D+02  0.307188D+02  0.290532D+02  0.294374D+02  0.419749D+02
      6   0.642027D+01  0.808115D+01  0.704286D+01  0.816017D+01  0.834256D+01
               271           272           273           274           275 
      1   0.179601D+03 -0.332528D+02 -0.114914D+02 -0.699542D+02  0.276640D+02
      2  -0.939773D+02  0.174265D+02  0.717555D+01  0.361881D+02 -0.131736D+02
      3  -0.856240D+02  0.158263D+02  0.431584D+01  0.337661D+02 -0.144903D+02
      4  -0.366095D+02  0.204939D+02  0.356639D+01  0.342833D+02 -0.243812D+02
      5  -0.158320D+02  0.390752D+01  0.171459D+02  0.776916D+01 -0.182284D+01
      6   0.334887D+01 -0.153313D+01 -0.640341D+00 -0.270628D+01  0.213486D+01
               276           277           278           279 
      1   0.578827D+01 -0.785161D+01  0.299759D+01  0.182034D+02
      2  -0.322959D+01  0.594521D+01 -0.141212D+01 -0.108373D+02
      3  -0.255868D+01  0.190641D+01 -0.158547D+01 -0.736602D+01
      4  -0.168926D+01  0.354969D+01  0.167127D+00 -0.148774D+01
      5  -0.594227D+01  0.259078D+02 -0.141543D+01 -0.610812D+01
      6   0.213770D+01 -0.996311D+00  0.243872D+01  0.962063D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:24:13 2021, MaxMem=  5368709120 cpu:           39265.0 elap:            4922.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50744 -19.50571 -19.44926 -10.57873 -10.52113
 Alpha  occ. eigenvalues --  -10.50600 -10.47385 -10.47163 -10.46951 -10.46631
 Alpha  occ. eigenvalues --  -10.46574 -10.46489 -10.46353 -10.46127 -10.46034
 Alpha  occ. eigenvalues --  -10.45057 -10.44875  -1.23388  -1.20854  -1.14275
 Alpha  occ. eigenvalues --   -1.03510  -0.98883  -0.94307  -0.92483  -0.88491
 Alpha  occ. eigenvalues --   -0.87982  -0.83137  -0.79981  -0.76554  -0.74405
 Alpha  occ. eigenvalues --   -0.74155  -0.72640  -0.67092  -0.66202  -0.65151
 Alpha  occ. eigenvalues --   -0.63322  -0.60947  -0.60352  -0.59136  -0.58278
 Alpha  occ. eigenvalues --   -0.57577  -0.57013  -0.55532  -0.54911  -0.53611
 Alpha  occ. eigenvalues --   -0.53418  -0.52971  -0.51870  -0.50094  -0.49217
 Alpha  occ. eigenvalues --   -0.48843  -0.47916  -0.46539  -0.46059  -0.44302
 Alpha  occ. eigenvalues --   -0.43479  -0.43343  -0.40886  -0.38498  -0.34519
 Alpha  occ. eigenvalues --   -0.31126
 Alpha virt. eigenvalues --    0.00517   0.03275   0.03923   0.04122   0.04891
 Alpha virt. eigenvalues --    0.06160   0.06661   0.06919   0.07461   0.08426
 Alpha virt. eigenvalues --    0.08833   0.09167   0.09791   0.10103   0.11070
 Alpha virt. eigenvalues --    0.11764   0.12234   0.12828   0.13171   0.14191
 Alpha virt. eigenvalues --    0.14797   0.15440   0.15644   0.16098   0.16256
 Alpha virt. eigenvalues --    0.17492   0.17670   0.18227   0.19123   0.19225
 Alpha virt. eigenvalues --    0.19691   0.20179   0.20864   0.21517   0.21897
 Alpha virt. eigenvalues --    0.22225   0.22875   0.23430   0.23681   0.24542
 Alpha virt. eigenvalues --    0.24816   0.25164   0.25878   0.26749   0.27085
 Alpha virt. eigenvalues --    0.27217   0.28088   0.28627   0.28752   0.29397
 Alpha virt. eigenvalues --    0.29609   0.30123   0.30268   0.31183   0.31308
 Alpha virt. eigenvalues --    0.32022   0.32471   0.32955   0.33344   0.33691
 Alpha virt. eigenvalues --    0.34081   0.34287   0.34905   0.35071   0.35420
 Alpha virt. eigenvalues --    0.35566   0.36176   0.36417   0.36860   0.37048
 Alpha virt. eigenvalues --    0.37416   0.37792   0.38425   0.38912   0.39024
 Alpha virt. eigenvalues --    0.39582   0.39697   0.39823   0.40169   0.40420
 Alpha virt. eigenvalues --    0.40559   0.41159   0.41641   0.41785   0.41969
 Alpha virt. eigenvalues --    0.42134   0.42723   0.43254   0.43392   0.43641
 Alpha virt. eigenvalues --    0.44097   0.44428   0.44571   0.45008   0.45316
 Alpha virt. eigenvalues --    0.46054   0.46186   0.46331   0.46828   0.47338
 Alpha virt. eigenvalues --    0.47627   0.47915   0.48216   0.48820   0.49261
 Alpha virt. eigenvalues --    0.49436   0.50991   0.51037   0.51812   0.51865
 Alpha virt. eigenvalues --    0.52153   0.52252   0.52701   0.52939   0.53341
 Alpha virt. eigenvalues --    0.53766   0.54844   0.54935   0.55126   0.55706
 Alpha virt. eigenvalues --    0.56161   0.56336   0.56893   0.57275   0.57740
 Alpha virt. eigenvalues --    0.58031   0.58084   0.59580   0.59647   0.60137
 Alpha virt. eigenvalues --    0.60653   0.60980   0.61638   0.62252   0.63600
 Alpha virt. eigenvalues --    0.63721   0.63987   0.64532   0.64922   0.65119
 Alpha virt. eigenvalues --    0.65600   0.65821   0.66202   0.67052   0.67437
 Alpha virt. eigenvalues --    0.68228   0.69664   0.70303   0.71028   0.71403
 Alpha virt. eigenvalues --    0.71770   0.72080   0.72595   0.73018   0.73348
 Alpha virt. eigenvalues --    0.73814   0.74235   0.75074   0.75246   0.76137
 Alpha virt. eigenvalues --    0.76424   0.76843   0.77635   0.78053   0.78744
 Alpha virt. eigenvalues --    0.79037   0.79927   0.80474   0.81326   0.81661
 Alpha virt. eigenvalues --    0.82669   0.83231   0.83258   0.83993   0.84733
 Alpha virt. eigenvalues --    0.84970   0.87125   0.87493   0.88216   0.88811
 Alpha virt. eigenvalues --    0.89684   0.90016   0.90790   0.91197   0.93084
 Alpha virt. eigenvalues --    0.93757   0.94150   0.94908   0.97135   0.97433
 Alpha virt. eigenvalues --    0.98030   0.99701   1.00142   1.01248   1.01652
 Alpha virt. eigenvalues --    1.02822   1.03621   1.03889   1.04930   1.05413
 Alpha virt. eigenvalues --    1.06207   1.07009   1.07576   1.08386   1.08570
 Alpha virt. eigenvalues --    1.08844   1.09059   1.09646   1.10536   1.10766
 Alpha virt. eigenvalues --    1.11086   1.12299   1.14300   1.14645   1.16460
 Alpha virt. eigenvalues --    1.17572   1.18180   1.19286   1.19933   1.20892
 Alpha virt. eigenvalues --    1.21637   1.22179   1.23562   1.24636   1.25092
 Alpha virt. eigenvalues --    1.25529   1.26590   1.27274   1.28125   1.29668
 Alpha virt. eigenvalues --    1.30923   1.31419   1.32379   1.33570   1.33799
 Alpha virt. eigenvalues --    1.35725   1.36446   1.37025   1.37340   1.39475
 Alpha virt. eigenvalues --    1.40331   1.41628   1.42340   1.42494   1.44935
 Alpha virt. eigenvalues --    1.45485   1.47986   1.48697   1.49212   1.50942
 Alpha virt. eigenvalues --    1.53095   1.53785   1.55078   1.56451   1.57719
 Alpha virt. eigenvalues --    1.58088   1.59883   1.61106   1.61781   1.63028
 Alpha virt. eigenvalues --    1.65637   1.67361   1.68881   1.69012   1.69890
 Alpha virt. eigenvalues --    1.70749   1.71919   1.73115   1.74364   1.75301
 Alpha virt. eigenvalues --    1.75690   1.75745   1.76641   1.77302   1.77894
 Alpha virt. eigenvalues --    1.79047   1.80739   1.81245   1.82566   1.84244
 Alpha virt. eigenvalues --    1.85889   1.86692   1.88422   1.88965   1.89980
 Alpha virt. eigenvalues --    1.91789   1.92133   1.94666   1.95255   1.95515
 Alpha virt. eigenvalues --    1.96282   1.97683   1.97962   1.99191   1.99796
 Alpha virt. eigenvalues --    2.00571   2.01749   2.02856   2.03162   2.03519
 Alpha virt. eigenvalues --    2.05471   2.06823   2.07606   2.08277   2.08833
 Alpha virt. eigenvalues --    2.10885   2.11343   2.11636   2.13449   2.13821
 Alpha virt. eigenvalues --    2.14579   2.15176   2.16079   2.17012   2.18192
 Alpha virt. eigenvalues --    2.18888   2.19574   2.20525   2.21416   2.23493
 Alpha virt. eigenvalues --    2.24575   2.25996   2.26900   2.28888   2.29787
 Alpha virt. eigenvalues --    2.31053   2.32061   2.34307   2.35347   2.36357
 Alpha virt. eigenvalues --    2.37212   2.38030   2.39405   2.39787   2.41322
 Alpha virt. eigenvalues --    2.43209   2.44801   2.46684   2.47850   2.48888
 Alpha virt. eigenvalues --    2.50158   2.51000   2.51749   2.52568   2.53955
 Alpha virt. eigenvalues --    2.54933   2.58019   2.58681   2.59816   2.61894
 Alpha virt. eigenvalues --    2.62598   2.63577   2.64614   2.65504   2.66226
 Alpha virt. eigenvalues --    2.71119   2.74345   2.75662   2.76778   2.79321
 Alpha virt. eigenvalues --    2.84284   2.87550   2.88326   2.92637   2.94857
 Alpha virt. eigenvalues --    2.97422   2.98064   2.98734   2.99891   3.00952
 Alpha virt. eigenvalues --    3.02855   3.03486   3.04199   3.05613   3.07989
 Alpha virt. eigenvalues --    3.10113   3.10435   3.10981   3.16172   3.17016
 Alpha virt. eigenvalues --    3.17790   3.19776   3.20162   3.22185   3.23717
 Alpha virt. eigenvalues --    3.24661   3.27410   3.28535   3.29535   3.34261
 Alpha virt. eigenvalues --    3.35120   3.37758   3.53873   3.54768   3.63348
 Alpha virt. eigenvalues --    3.66302   3.70722   3.85799   3.90200   4.04957
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.843687  -1.501801  -1.981676   0.183250  -0.846513  -0.228911
     2  C   -1.501801  13.101113   0.228325  -1.039131   0.238288  -1.618974
     3  C   -1.981676   0.228325  11.010188  -0.875131  -0.101932  -0.610549
     4  C    0.183250  -1.039131  -0.875131  12.090703  -1.174063   0.454345
     5  C   -0.846513   0.238288  -0.101932  -1.174063  10.584554  -0.798431
     6  C   -0.228911  -1.618974  -0.610549   0.454345  -0.798431  10.184806
     7  C   -1.841170  -0.738230  -0.521019   0.147696   0.083977   0.323727
     8  H   -1.032264   0.080452  -0.715065  -1.829430   0.222146   0.230299
     9  H    0.262089   0.015246   0.073623  -1.021012  -0.150595  -0.772142
    10  H    0.010927  -0.827734   0.187793   0.143506  -0.967496  -0.511324
    11  C    0.053905   0.182497  -0.548164  -0.604804  -0.732399   0.091321
    12  C    0.002375  -0.006447  -0.110086   0.048761   0.094750   0.001668
    13  C   -0.034122   0.012607   0.082598   0.294807   0.037659  -0.006226
    14  H    0.015306   0.015758   0.052788  -0.183873  -0.256599   0.039236
    15  H    0.009254   0.000346  -0.084763   0.020964   0.001330   0.000107
    16  H   -0.003709  -0.000419   0.014596  -0.110085   0.013868   0.000564
    17  H   -0.001504  -0.000207   0.031191   0.021429  -0.007839   0.000134
    18  O    0.001955  -0.002587  -0.000395  -0.023616   0.007445  -0.004916
    19  O    0.010954  -0.000050  -0.010268  -0.047602  -0.011553   0.012052
    20  H   -0.007174  -0.012762   0.015365  -0.028136  -0.021180  -0.000264
    21  C    0.609326  -0.494194   0.069270  -0.001572  -0.000305   0.005507
    22  C   -0.719780   0.106735   0.061031   0.009799   0.023294   0.235501
    23  C   -0.353870  -1.138758   0.099569   0.133854   0.128091  -0.964826
    24  O   -0.003385   0.073672  -0.001151  -0.001679  -0.001518  -0.010687
    25  C    0.004999  -0.001040   0.000137  -0.000137   0.000030   0.000145
    26  H   -0.176318   0.037916  -0.189712   0.005094  -0.011884  -0.029635
    27  H    0.043901   0.158110   0.017724   0.000850  -0.000467  -0.001936
    28  H    0.050952  -0.161867   0.002004  -0.009962   0.036085  -0.035548
    29  H    0.000624  -0.001601   0.000046  -0.000009   0.000006  -0.000181
    30  H    0.001039  -0.001542  -0.000019  -0.000009   0.000006  -0.000158
    31  H   -0.001336   0.000161   0.000026  -0.000001  -0.000001   0.000052
               7          8          9         10         11         12
     1  C   -1.841170  -1.032264   0.262089   0.010927   0.053905   0.002375
     2  C   -0.738230   0.080452   0.015246  -0.827734   0.182497  -0.006447
     3  C   -0.521019  -0.715065   0.073623   0.187793  -0.548164  -0.110086
     4  C    0.147696  -1.829430  -1.021012   0.143506  -0.604804   0.048761
     5  C    0.083977   0.222146  -0.150595  -0.967496  -0.732399   0.094750
     6  C    0.323727   0.230299  -0.772142  -0.511324   0.091321   0.001668
     7  C   10.469141  -0.252875  -0.006960  -0.020476   0.007562  -0.000722
     8  H   -0.252875   4.659004   0.031358  -0.023462  -0.055765  -0.099801
     9  H   -0.006960   0.031358   3.801788  -0.767350  -0.461070   0.022387
    10  H   -0.020476  -0.023462  -0.767350   3.648167   0.034138  -0.000478
    11  C    0.007562  -0.055765  -0.461070   0.034138   7.872625   0.288044
    12  C   -0.000722  -0.099801   0.022387  -0.000478   0.288044   4.238290
    13  C   -0.001454  -0.003409   0.052085  -0.000356  -0.809037  -0.005397
    14  H   -0.000136   0.015781  -0.141296   0.005295   0.396175  -0.088549
    15  H    0.001555  -0.094304   0.003721   0.000040   0.125044   0.314141
    16  H   -0.002212   0.018003   0.002491  -0.000026   0.059740   0.307632
    17  H   -0.000018   0.011651  -0.002127  -0.000006   0.192203   0.130347
    18  O   -0.000137  -0.000191  -0.001019  -0.000437   0.005342   0.012440
    19  O    0.000600   0.006950  -0.017367   0.001729   0.066818  -0.006313
    20  H    0.002342  -0.009089  -0.004309   0.000025  -0.082579   0.000135
    21  C   -0.373455   0.055050   0.000376  -0.016969   0.000474   0.000004
    22  C    0.542852  -0.007912  -0.001885   0.045141  -0.000823  -0.000063
    23  C   -0.635613  -0.027589   0.008903  -0.302821   0.000036  -0.000338
    24  O   -0.029447   0.000325   0.000103   0.000698   0.000008   0.000000
    25  C    0.020535   0.000031  -0.000002   0.000002  -0.000004   0.000000
    26  H   -0.803261  -0.347164   0.000281   0.001976   0.004427   0.000160
    27  H   -0.425273   0.002730   0.000005   0.000320  -0.000076  -0.000007
    28  H    0.114230   0.003423  -0.002891  -0.128947  -0.000327  -0.000017
    29  H   -0.001767   0.000005  -0.000000  -0.000013  -0.000000   0.000000
    30  H   -0.001100  -0.000000  -0.000000  -0.000012  -0.000000   0.000000
    31  H    0.000351   0.000000   0.000000   0.000002   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.034122   0.015306   0.009254  -0.003709  -0.001504   0.001955
     2  C    0.012607   0.015758   0.000346  -0.000419  -0.000207  -0.002587
     3  C    0.082598   0.052788  -0.084763   0.014596   0.031191  -0.000395
     4  C    0.294807  -0.183873   0.020964  -0.110085   0.021429  -0.023616
     5  C    0.037659  -0.256599   0.001330   0.013868  -0.007839   0.007445
     6  C   -0.006226   0.039236   0.000107   0.000564   0.000134  -0.004916
     7  C   -0.001454  -0.000136   0.001555  -0.002212  -0.000018  -0.000137
     8  H   -0.003409   0.015781  -0.094304   0.018003   0.011651  -0.000191
     9  H    0.052085  -0.141296   0.003721   0.002491  -0.002127  -0.001019
    10  H   -0.000356   0.005295   0.000040  -0.000026  -0.000006  -0.000437
    11  C   -0.809037   0.396175   0.125044   0.059740   0.192203   0.005342
    12  C   -0.005397  -0.088549   0.314141   0.307632   0.130347   0.012440
    13  C    6.436832  -0.079212  -0.041482  -0.027667   0.026809   0.142741
    14  H   -0.079212   0.989372  -0.033628  -0.036523   0.030315  -0.064596
    15  H   -0.041482  -0.033628   0.846820   0.031142  -0.203253   0.012449
    16  H   -0.027667  -0.036523   0.031142   0.724490  -0.085286   0.014519
    17  H    0.026809   0.030315  -0.203253  -0.085286   0.988471  -0.033284
    18  O    0.142741  -0.064596   0.012449   0.014519  -0.033284   7.998012
    19  O   -0.060242   0.019712   0.006793  -0.001135  -0.004805   0.093277
    20  H    0.143043  -0.002992  -0.001049   0.002046   0.000255  -0.014518
    21  C    0.000249  -0.000009  -0.000041   0.000076  -0.000001  -0.000008
    22  C    0.000304  -0.000010   0.000002   0.000002   0.000001  -0.000011
    23  C   -0.000411  -0.000082  -0.000017  -0.000008  -0.000005   0.000074
    24  O   -0.000013   0.000000  -0.000000   0.000000   0.000000   0.000000
    25  C   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    26  H    0.000373  -0.000038   0.000517  -0.001409  -0.000031  -0.000063
    27  H    0.000012  -0.000000  -0.000003   0.000006   0.000000   0.000000
    28  H   -0.000074  -0.000003  -0.000003   0.000000   0.000000   0.000005
    29  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    30  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    31  H    0.000000   0.000000  -0.000000   0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.010954  -0.007174   0.609326  -0.719780  -0.353870  -0.003385
     2  C   -0.000050  -0.012762  -0.494194   0.106735  -1.138758   0.073672
     3  C   -0.010268   0.015365   0.069270   0.061031   0.099569  -0.001151
     4  C   -0.047602  -0.028136  -0.001572   0.009799   0.133854  -0.001679
     5  C   -0.011553  -0.021180  -0.000305   0.023294   0.128091  -0.001518
     6  C    0.012052  -0.000264   0.005507   0.235501  -0.964826  -0.010687
     7  C    0.000600   0.002342  -0.373455   0.542852  -0.635613  -0.029447
     8  H    0.006950  -0.009089   0.055050  -0.007912  -0.027589   0.000325
     9  H   -0.017367  -0.004309   0.000376  -0.001885   0.008903   0.000103
    10  H    0.001729   0.000025  -0.016969   0.045141  -0.302821   0.000698
    11  C    0.066818  -0.082579   0.000474  -0.000823   0.000036   0.000008
    12  C   -0.006313   0.000135   0.000004  -0.000063  -0.000338   0.000000
    13  C   -0.060242   0.143043   0.000249   0.000304  -0.000411  -0.000013
    14  H    0.019712  -0.002992  -0.000009  -0.000010  -0.000082   0.000000
    15  H    0.006793  -0.001049  -0.000041   0.000002  -0.000017  -0.000000
    16  H   -0.001135   0.002046   0.000076   0.000002  -0.000008   0.000000
    17  H   -0.004805   0.000255  -0.000001   0.000001  -0.000005   0.000000
    18  O    0.093277  -0.014518  -0.000008  -0.000011   0.000074   0.000000
    19  O    7.950174   0.168689  -0.000098  -0.000056  -0.000165   0.000007
    20  H    0.168689   0.544772  -0.000324   0.000030  -0.000120  -0.000013
    21  C   -0.000098  -0.000324   8.191488  -1.472937  -0.184310   0.080300
    22  C   -0.000056   0.000030  -1.472937   9.500933  -0.866650   0.177658
    23  C   -0.000165  -0.000120  -0.184310  -0.866650  10.775459   0.053881
    24  O    0.000007  -0.000013   0.080300   0.177658   0.053881   8.284972
    25  C   -0.000000  -0.000000  -0.068297   0.089182  -0.008153   0.177230
    26  H   -0.000799   0.000011  -0.646887   0.139622   0.112000   0.011625
    27  H   -0.000004   0.000003  -0.347266  -0.703412   0.029935  -0.248969
    28  H    0.000001   0.000043   0.164822  -1.062028  -0.725226   0.055929
    29  H   -0.000000   0.000000   0.013234  -0.039861   0.010155   0.074609
    30  H   -0.000000  -0.000000   0.013169  -0.041182   0.009864   0.075847
    31  H   -0.000000  -0.000000   0.040314   0.043143   0.001400  -0.198383
              25         26         27         28         29         30
     1  C    0.004999  -0.176318   0.043901   0.050952   0.000624   0.001039
     2  C   -0.001040   0.037916   0.158110  -0.161867  -0.001601  -0.001542
     3  C    0.000137  -0.189712   0.017724   0.002004   0.000046  -0.000019
     4  C   -0.000137   0.005094   0.000850  -0.009962  -0.000009  -0.000009
     5  C    0.000030  -0.011884  -0.000467   0.036085   0.000006   0.000006
     6  C    0.000145  -0.029635  -0.001936  -0.035548  -0.000181  -0.000158
     7  C    0.020535  -0.803261  -0.425273   0.114230  -0.001767  -0.001100
     8  H    0.000031  -0.347164   0.002730   0.003423   0.000005  -0.000000
     9  H   -0.000002   0.000281   0.000005  -0.002891  -0.000000  -0.000000
    10  H    0.000002   0.001976   0.000320  -0.128947  -0.000013  -0.000012
    11  C   -0.000004   0.004427  -0.000076  -0.000327  -0.000000  -0.000000
    12  C    0.000000   0.000160  -0.000007  -0.000017   0.000000   0.000000
    13  C   -0.000000   0.000373   0.000012  -0.000074  -0.000000  -0.000000
    14  H   -0.000000  -0.000038  -0.000000  -0.000003  -0.000000  -0.000000
    15  H   -0.000000   0.000517  -0.000003  -0.000003  -0.000000  -0.000000
    16  H    0.000000  -0.001409   0.000006   0.000000   0.000000   0.000000
    17  H    0.000000  -0.000031   0.000000   0.000000   0.000000   0.000000
    18  O    0.000000  -0.000063   0.000000   0.000005   0.000000   0.000000
    19  O   -0.000000  -0.000799  -0.000004   0.000001  -0.000000  -0.000000
    20  H   -0.000000   0.000011   0.000003   0.000043   0.000000  -0.000000
    21  C   -0.068297  -0.646887  -0.347266   0.164822   0.013234   0.013169
    22  C    0.089182   0.139622  -0.703412  -1.062028  -0.039861  -0.041182
    23  C   -0.008153   0.112000   0.029935  -0.725226   0.010155   0.009864
    24  O    0.177230   0.011625  -0.248969   0.055929   0.074609   0.075847
    25  C    4.195596   0.000901  -0.057877  -0.018140   0.245940   0.245240
    26  H    0.000901   2.879096  -0.170544  -0.014744  -0.000834  -0.000703
    27  H   -0.057877  -0.170544   2.675962   0.015874  -0.030541  -0.031595
    28  H   -0.018140  -0.014744   0.015874   2.527733   0.002883   0.002927
    29  H    0.245940  -0.000834  -0.030541   0.002883   0.691046   0.031460
    30  H    0.245240  -0.000703  -0.031595   0.002927   0.031460   0.694345
    31  H    0.468336  -0.000094   0.052478  -0.002832  -0.179886  -0.181264
              31
     1  C   -0.001336
     2  C    0.000161
     3  C    0.000026
     4  C   -0.000001
     5  C   -0.000001
     6  C    0.000052
     7  C    0.000351
     8  H    0.000000
     9  H    0.000000
    10  H    0.000002
    11  C    0.000000
    12  C   -0.000000
    13  C    0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H   -0.000000
    21  C    0.040314
    22  C    0.043143
    23  C    0.001400
    24  O   -0.198383
    25  C    0.468336
    26  H   -0.000094
    27  H    0.052478
    28  H   -0.002832
    29  H   -0.179886
    30  H   -0.181264
    31  H    1.407403
 Mulliken charges:
               1
     1  C   -0.371010
     2  C   -0.703879
     3  C   -0.196347
     4  C   -0.604806
     5  C   -0.388756
     6  C    0.015246
     7  C   -0.059241
     8  H    0.161110
     9  H    0.075569
    10  H    0.488150
    11  C   -0.085313
    12  C    0.857084
    13  C   -0.161016
    14  H    0.307808
    15  H    0.084318
    16  H    0.079305
    17  H   -0.094441
    18  O   -0.142482
    19  O   -0.177300
    20  H    0.307752
    21  C    0.363016
    22  C   -0.058620
    23  C   -0.154257
    24  O   -0.571618
    25  C    0.705346
    26  H    0.200120
    27  H    0.020060
    28  H    0.185699
    29  H    0.184684
    30  H    0.183688
    31  H   -0.449870
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.371010
     2  C   -0.703879
     3  C   -0.035237
     4  C   -0.604806
     5  C   -0.313188
     6  C    0.503396
     7  C    0.140878
    11  C    0.222495
    12  C    0.926266
    13  C   -0.161016
    18  O   -0.142482
    19  O    0.130452
    21  C    0.383076
    22  C   -0.058620
    23  C    0.031442
    24  O   -0.571618
    25  C    0.623848
 Electronic spatial extent (au):  <R**2>=           5530.7256
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.9683    Y=             -2.2124    Z=             -1.9115  Tot=              6.6459
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -113.3153   YY=            -90.7321   ZZ=           -105.7467
   XY=              2.0459   XZ=            -14.1387   YZ=             -2.3492
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.0506   YY=             12.5326   ZZ=             -2.4820
   XY=              2.0459   XZ=            -14.1387   YZ=             -2.3492
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -273.3936  YYY=              5.3631  ZZZ=              3.9432  XYY=              1.0957
  XXY=            -57.3359  XXZ=            -39.2259  XZZ=             -6.5947  YZZ=             -1.7890
  YYZ=             -0.3639  XYZ=              0.0091
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6365.5122 YYYY=           -710.4068 ZZZZ=           -423.3131 XXXY=             42.1082
 XXXZ=           -305.7162 YYYX=              2.0208 YYYZ=            -13.1952 ZZZX=            -18.8041
 ZZZY=              4.3754 XXYY=          -1106.1024 XXZZ=          -1139.8605 YYZZ=           -204.4064
 XXYZ=            -25.1491 YYXZ=              0.4114 ZZXY=             -2.7916
 N-N= 1.134204831116D+03 E-N=-4.049507034689D+03  KE= 7.579101176531D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:24:14 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        7.7128    7.7150        6.4421    6.4456
 2     -7.7128   -7.7150        2.6183    2.6190      -64.2575  -64.2607
 3     -6.4421   -6.4456       91.1261   91.1139       -2.6172   -2.6190
 4     -2.6183   -2.6190       -0.0000    0.0000       -6.4450   -6.4456
 5    -26.8686  -26.8532        6.4450    6.4456        7.7149    7.7150
 6      2.6172    2.6190       -7.7149   -7.7150        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -23.1449  -23.1449       19.3369   19.3369
 2     -7.8569   -7.8569        0.0000    0.0000       19.3368   19.3369
 3     -7.8569   -7.8569      -23.1449  -23.1449       -0.0000    0.0000
 4    -23.1449  -23.1449        7.8569    7.8569     -192.7822 -192.7822
 5    -19.3368  -19.3369      273.3417  273.3417       -7.8569   -7.8569
 6    -80.5595  -80.5595       19.3369   19.3369       23.1449   23.1449
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0850    0.0000      -30.5617  -30.8598      -25.2263  -25.7825
 2     30.5617   30.8598      -10.5144  -10.4758      256.4214  257.0429
 3     25.6676   25.7825     -365.0740 -364.4556       10.2835   10.4758
 4     10.6206   10.4758        0.1940    0.0000       26.2619   25.7825
 5    107.7865  107.4127      -25.5265  -25.7825      -31.2963  -30.8598
 6    -10.9123  -10.4758       31.2943   30.8598       -0.1476    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0411    0.0000       52.6245   52.1714      -47.3743  -46.9981
 2    -51.6068  -52.1714       68.3558   65.9578      -13.0485  -12.9538
 3     46.9032   46.9981      -59.0598  -57.9128      -67.4787  -65.9578
 4    -65.9998  -65.9578       -0.6433    0.0000       47.5498   46.9981
 5     71.5247   70.8666      -46.3692  -46.9981       52.1918   52.1714
 6     66.0468   65.9578      -51.6980  -52.1714       -0.5494    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.4694  -17.7095       16.1020   15.8839       86.1012   85.6314
 2   -146.3946 -146.2605       55.8949   56.1794       87.0916   85.6314
 3   -146.2817 -146.2605       15.3882   15.8839      128.9509  127.7044
 4    -41.1066  -40.2955      130.6668  128.5510      -44.6195  -44.9017
 5     41.2407   42.0730      -68.2219  -68.5350     -129.3541 -128.5510
 6    114.4816  113.4368      -42.5093  -42.0730       40.6129   40.2955
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.0849                 0.9886                 2.3385
  Dep-P Fr= 1--      0.7500                 0.7228                 0.7485
  Dep-U Fr= 1--      0.8571                 0.8391                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0001
 Beta2  Fr= 1--      0.5835                 0.1383                 0.3337
 AlphaG Fr= 1--      0.0000                -0.0080                 0.0022
 Gamma2 Fr= 1--     -3.3211                 1.8930                -1.0717
 Delta2 Fr= 1--     -1.9725                 0.8304                 0.0476
 Raman1 Fr= 1--      16.339                  3.954                  9.354
 ROA1   Fr= 1--    -381.942                208.295               -101.355
 CID1   Fr= 1--     -23.375                 52.674                -10.835
 Raman2 Fr= 1--       7.003                  1.659                  4.004
 ROA2   Fr= 1--     -63.925                 38.788                -26.101
 CID2   Fr= 1--      -9.129                 23.379                 -6.518
 Raman3 Fr= 1--      14.005                  3.318                  8.008
 ROA3   Fr= 1--    -381.942                208.295               -101.355
 CID3   Fr= 1--     -27.272                 62.775                -12.656
 RC180  Fr= 1--       0.714                  0.678                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.6795                 0.8777                 1.4396
  Dep-P Fr= 1--      0.7098                 0.7463                 0.3687
  Dep-U Fr= 1--      0.8303                 0.8547                 0.5388
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0119
 Beta2  Fr= 1--      0.0940                 0.1250                 0.1293
 AlphaG Fr= 1--      0.0083                -0.0026                -0.0236
 Gamma2 Fr= 1--      0.1383                 1.2227                -1.2583
 Delta2 Fr= 1--     -0.1063                 0.5719                -0.6520
 Raman1 Fr= 1--       2.718                  3.511                  5.758
 ROA1   Fr= 1--       9.879                135.682               -141.658
 CID1   Fr= 1--       3.634                 38.648                -24.600
 Raman2 Fr= 1--       1.128                  1.500                  1.551
 ROA2   Fr= 1--       4.170                 24.771                -24.982
 CID2   Fr= 1--       3.696                 16.510                -16.105
 Raman3 Fr= 1--       2.257                  3.001                  3.102
 ROA3   Fr= 1--       9.879                135.682               -141.658
 CID3   Fr= 1--       4.377                 45.217                -45.661
 RC180  Fr= 1--       0.661                  0.709                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0461                 3.1369                 0.4199
  Dep-P Fr= 1--      0.7197                 0.4054                 0.7327
  Dep-U Fr= 1--      0.8370                 0.5770                 0.8458
 Alpha2 Fr= 1--      0.0000                 0.0228                 0.0001
 Beta2  Fr= 1--      0.0064                 0.3016                 0.0592
 AlphaG Fr= 1--      0.0004                -0.0416                -0.0028
 Gamma2 Fr= 1--     -0.0111                -1.0431                -0.5039
 Delta2 Fr= 1--     -0.0476                -0.2724                -0.1657
 Raman1 Fr= 1--       0.184                 12.547                  1.680
 ROA1   Fr= 1--      -2.585               -108.854                -53.680
 CID1   Fr= 1--     -14.028                 -8.675                -31.961
 Raman2 Fr= 1--       0.077                  3.620                  0.710
 ROA2   Fr= 1--       0.116                -22.855                -10.769
 CID2   Fr= 1--       1.499                 -6.314                -15.163
 Raman3 Fr= 1--       0.154                  7.239                  1.420
 ROA3   Fr= 1--      -2.585               -108.854                -53.680
 CID3   Fr= 1--     -16.761                -15.036                -37.790
 RC180  Fr= 1--       0.674                  0.154                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.5697                 0.4283                 1.0965
  Dep-P Fr= 1--      0.4162                 0.4325                 0.7444
  Dep-U Fr= 1--      0.5878                 0.6039                 0.8535
 Alpha2 Fr= 1--      0.0110                 0.0028                 0.0001
 Beta2  Fr= 1--      0.1538                 0.0431                 0.1560
 AlphaG Fr= 1--     -0.0386                 0.0104                 0.0037
 Gamma2 Fr= 1--      0.8147                 0.1244                 1.3582
 Delta2 Fr= 1--      0.0689                 0.1285                 0.3514
 Raman1 Fr= 1--       6.279                  1.713                  4.386
 ROA1   Fr= 1--      80.413                 16.058                141.637
 CID1   Fr= 1--      12.807                  9.374                 32.293
 Raman2 Fr= 1--       1.845                  0.517                  1.872
 ROA2   Fr= 1--      19.001                  1.958                 29.787
 CID2   Fr= 1--      10.297                  3.786                 15.915
 Raman3 Fr= 1--       3.691                  1.034                  3.743
 ROA3   Fr= 1--      80.413                 16.058                141.637
 CID3   Fr= 1--      21.789                 15.523                 37.839
 RC180  Fr= 1--       0.176                  0.208                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     14.8740                 1.8436                 0.8862
  Dep-P Fr= 1--      0.1710                 0.7460                 0.3847
  Dep-U Fr= 1--      0.2921                 0.8545                 0.5557
 Alpha2 Fr= 1--      0.2179                 0.0001                 0.0069
 Beta2  Fr= 1--      0.7242                 0.2626                 0.0821
 AlphaG Fr= 1--      0.1271                 0.0047                 0.0508
 Gamma2 Fr= 1--      2.2502                -2.6406                -0.1201
 Delta2 Fr= 1--      0.5442                -0.6981                -0.1835
 Raman1 Fr= 1--      59.496                  7.374                  3.545
 ROA1   Fr= 1--     233.429               -275.832                -17.402
 CID1   Fr= 1--       3.923                -37.405                 -4.909
 Raman2 Fr= 1--       8.690                  3.151                  0.985
 ROA2   Fr= 1--      49.651                -57.789                 -1.415
 CID2   Fr= 1--       5.714                -18.341                 -1.437
 Raman3 Fr= 1--      17.380                  6.301                  1.970
 ROA3   Fr= 1--     233.429               -275.832                -17.402
 CID3   Fr= 1--      13.431                -43.773                 -8.834
 RC180  Fr= 1--      -0.416                  0.709                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      1.9316                 0.6459                 1.0778
  Dep-P Fr= 1--      0.7468                 0.5801                 0.7464
  Dep-U Fr= 1--      0.8551                 0.7342                 0.8548
 Alpha2 Fr= 1--      0.0001                 0.0021                 0.0001
 Beta2  Fr= 1--      0.2753                 0.0790                 0.1535
 AlphaG Fr= 1--      0.0014                 0.0090                 0.0025
 Gamma2 Fr= 1--     -0.5616                -0.1962                -0.5680
 Delta2 Fr= 1--      0.0871                -0.0462                -0.0287
 Raman1 Fr= 1--       7.727                  2.584                  4.311
 ROA1   Fr= 1--     -51.125                -20.316                -55.450
 CID1   Fr= 1--      -6.617                 -7.863                -12.862
 Raman2 Fr= 1--       3.303                  0.949                  1.843
 ROA2   Fr= 1--     -14.175                 -4.340                -13.404
 CID2   Fr= 1--      -4.291                 -4.575                 -7.274
 Raman3 Fr= 1--       6.607                  1.897                  3.685
 ROA3   Fr= 1--     -51.125                -20.316                -55.450
 CID3   Fr= 1--      -7.738                -10.709                -15.047
 RC180  Fr= 1--       0.710                  0.468                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.1108                15.7306                 2.7986
  Dep-P Fr= 1--      0.3743                 0.3944                 0.5798
  Dep-U Fr= 1--      0.5447                 0.5657                 0.7340
 Alpha2 Fr= 1--      0.0009                 0.1189                 0.0089
 Beta2  Fr= 1--      0.0101                 1.4831                 0.3424
 AlphaG Fr= 1--      0.0005                 0.0700                 0.0569
 Gamma2 Fr= 1--     -0.2364                -0.4362                 0.5527
 Delta2 Fr= 1--     -0.0088                -0.3873                 0.6916
 Raman1 Fr= 1--       0.443                 62.922                 11.195
 ROA1   Fr= 1--     -22.971                -54.270                 75.190
 CID1   Fr= 1--     -51.838                 -0.862                  6.717
 Raman2 Fr= 1--       0.121                 17.798                  4.108
 ROA2   Fr= 1--      -5.602                 -7.370                  7.731
 CID2   Fr= 1--     -46.422                 -0.414                  1.882
 Raman3 Fr= 1--       0.241                 35.595                  8.217
 ROA3   Fr= 1--     -22.971                -54.270                 75.190
 CID3   Fr= 1--     -95.169                 -1.525                  9.151
 RC180  Fr= 1--       0.089                  0.131                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      4.7598                 1.0993                 1.3857
  Dep-P Fr= 1--      0.2351                 0.5715                 0.7477
  Dep-U Fr= 1--      0.3807                 0.7274                 0.8556
 Alpha2 Fr= 1--      0.0588                 0.0037                 0.0001
 Beta2  Fr= 1--      0.3020                 0.1333                 0.1976
 AlphaG Fr= 1--     -0.1283                -0.1078                -0.0015
 Gamma2 Fr= 1--      1.5527                -0.6985                 0.2139
 Delta2 Fr= 1--     -0.0957                 0.4381                 0.3332
 Raman1 Fr= 1--      19.039                  4.397                  5.543
 ROA1   Fr= 1--     145.997                -53.034                 31.195
 CID1   Fr= 1--       7.668                -12.061                  5.628
 Raman2 Fr= 1--       3.624                  1.599                  2.371
 ROA2   Fr= 1--      38.030                -20.268                  2.468
 CID2   Fr= 1--      10.494                -12.674                  1.041
 Raman3 Fr= 1--       7.248                  3.198                  4.742
 ROA3   Fr= 1--     145.997                -53.034                 31.195
 CID3   Fr= 1--      20.143                -16.582                  6.578
 RC180  Fr= 1--      -0.239                  0.455                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.5004                 2.0051                 1.6657
  Dep-P Fr= 1--      0.6750                 0.2069                 0.2689
  Dep-U Fr= 1--      0.8060                 0.3429                 0.4238
 Alpha2 Fr= 1--      0.0007                 0.0267                 0.0187
 Beta2  Fr= 1--      0.0672                 0.1146                 0.1176
 AlphaG Fr= 1--     -0.0232                 0.0999                 0.0613
 Gamma2 Fr= 1--      0.8765                -0.5942                -1.3452
 Delta2 Fr= 1--      0.4250                -0.6608                -0.2275
 Raman1 Fr= 1--       2.002                  8.020                  6.663
 ROA1   Fr= 1--      97.745                -78.185               -136.422
 CID1   Fr= 1--      48.829                 -9.748                -20.476
 Raman2 Fr= 1--       0.807                  1.375                  1.412
 ROA2   Fr= 1--      17.636                 -8.974                -30.465
 CID2   Fr= 1--      21.862                 -6.527                -21.579
 Raman3 Fr= 1--       1.613                  2.750                  2.824
 ROA3   Fr= 1--      97.745                -78.185               -136.422
 CID3   Fr= 1--      60.584                -28.432                -48.316
 RC180  Fr= 1--       0.612                 -0.314                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.2633                60.3754                 5.6821
  Dep-P Fr= 1--      0.6923                 0.0665                 0.0518
  Dep-U Fr= 1--      0.8182                 0.1248                 0.0984
 Alpha2 Fr= 1--      0.0013                 1.1464                 0.1118
 Beta2  Fr= 1--      0.1723                 1.2553                 0.0932
 AlphaG Fr= 1--     -0.0456                 0.0220                -0.1352
 Gamma2 Fr= 1--      2.8675                 0.9114                 0.0103
 Delta2 Fr= 1--     -0.2925                -0.2428                 0.6187
 Raman1 Fr= 1--       5.053                241.502                 22.728
 ROA1   Fr= 1--     265.915                 79.723                 20.790
 CID1   Fr= 1--      52.625                  0.330                  0.915
 Raman2 Fr= 1--       2.067                 15.064                  1.119
 ROA2   Fr= 1--      71.159                 23.816                 -4.702
 CID2   Fr= 1--      34.424                  1.581                 -4.203
 Raman3 Fr= 1--       4.134                 30.128                  2.237
 ROA3   Fr= 1--     265.915                 79.723                 20.790
 CID3   Fr= 1--      64.319                  2.646                  9.292
 RC180  Fr= 1--       0.636                 -0.750                 -0.803
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      5.5931                 0.5927                 1.4557
  Dep-P Fr= 1--      0.4385                 0.1767                 0.4140
  Dep-U Fr= 1--      0.6097                 0.3003                 0.5856
 Alpha2 Fr= 1--      0.0359                 0.0086                 0.0102
 Beta2  Fr= 1--      0.5683                 0.0297                 0.1421
 AlphaG Fr= 1--     -0.0787                -0.0249                -0.0107
 Gamma2 Fr= 1--      0.7361                -0.1877                 0.4149
 Delta2 Fr= 1--     -0.7934                -0.0553                 0.2265
 Raman1 Fr= 1--      22.373                  2.371                  5.823
 ROA1   Fr= 1--      45.279                -19.793                 47.077
 CID1   Fr= 1--       2.024                 -8.348                  8.085
 Raman2 Fr= 1--       6.820                  0.356                  1.705
 ROA2   Fr= 1--      24.014                 -4.064                  8.145
 CID2   Fr= 1--       3.521                -11.417                  4.777
 Raman3 Fr= 1--      13.640                  0.712                  3.410
 ROA3   Fr= 1--      45.279                -19.793                 47.077
 CID3   Fr= 1--       3.320                -27.803                 13.807
 RC180  Fr= 1--       0.219                 -0.399                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     23.5319                 1.5800                 0.9610
  Dep-P Fr= 1--      0.1040                 0.7476                 0.7256
  Dep-U Fr= 1--      0.1884                 0.8556                 0.8410
 Alpha2 Fr= 1--      0.4080                 0.0001                 0.0004
 Beta2  Fr= 1--      0.7388                 0.2253                 0.1347
 AlphaG Fr= 1--      0.2793                -0.0028                -0.0165
 Gamma2 Fr= 1--     -2.2134                -0.3954                -0.9076
 Delta2 Fr= 1--      0.1109                -0.0713                -0.4227
 Raman1 Fr= 1--      94.127                  6.320                  3.844
 ROA1   Fr= 1--    -208.940                -40.242               -100.659
 CID1   Fr= 1--      -2.220                 -6.367                -26.186
 Raman2 Fr= 1--       8.865                  2.704                  1.616
 ROA2   Fr= 1--     -54.009                 -8.920                -18.401
 CID2   Fr= 1--      -6.092                 -3.299                -11.384
 Raman3 Fr= 1--      17.730                  5.407                  3.233
 ROA3   Fr= 1--    -208.940                -40.242               -100.659
 CID3   Fr= 1--     -11.784                 -7.442                -31.137
 RC180  Fr= 1--      -0.623                  0.711                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      7.2179                 0.6685                 2.5952
  Dep-P Fr= 1--      0.3462                 0.7405                 0.2856
  Dep-U Fr= 1--      0.5143                 0.8509                 0.4443
 Alpha2 Fr= 1--      0.0642                 0.0001                 0.0278
 Beta2  Fr= 1--      0.6187                 0.0948                 0.1922
 AlphaG Fr= 1--      0.1156                -0.0030                 0.2193
 Gamma2 Fr= 1--      2.1404                 0.1353                 1.9516
 Delta2 Fr= 1--     -1.1132                 0.0373                 0.5840
 Raman1 Fr= 1--      28.872                  2.674                 10.381
 ROA1   Fr= 1--     169.858                 14.180                206.044
 CID1   Fr= 1--       5.883                  5.303                 19.849
 Raman2 Fr= 1--       7.424                  1.138                  2.306
 ROA2   Fr= 1--      60.275                  2.949                 42.167
 CID2   Fr= 1--       8.119                  2.592                 18.287
 Raman3 Fr= 1--      14.848                  2.275                  4.612
 ROA3   Fr= 1--     169.858                 14.180                206.044
 CID3   Fr= 1--      11.440                  6.232                 44.677
 RC180  Fr= 1--       0.029                  0.702                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     16.8672                 2.7126                 2.1123
  Dep-P Fr= 1--      0.1369                 0.6164                 0.0679
  Dep-U Fr= 1--      0.2409                 0.7627                 0.1271
 Alpha2 Fr= 1--      0.2695                 0.0066                 0.0400
 Beta2  Fr= 1--      0.6772                 0.3448                 0.0447
 AlphaG Fr= 1--     -0.3535                 0.0349                 0.0073
 Gamma2 Fr= 1--     -2.2035                 0.8535                -0.0082
 Delta2 Fr= 1--     -0.4190                -1.4367                -0.0413
 Raman1 Fr= 1--      67.469                 10.850                  8.449
 ROA1   Fr= 1--    -224.945                 35.961                 -2.112
 CID1   Fr= 1--      -3.334                  3.314                 -0.250
 Raman2 Fr= 1--       8.126                  4.138                  0.537
 ROA2   Fr= 1--     -49.532                 31.977                  0.132
 CID2   Fr= 1--      -6.096                  7.728                  0.246
 Raman3 Fr= 1--      16.252                  8.275                  1.074
 ROA3   Fr= 1--    -224.945                 35.961                 -2.112
 CID3   Fr= 1--     -13.841                  4.346                 -1.967
 RC180  Fr= 1--      -0.518                  0.525                 -0.746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--      8.3735                 6.1796                 1.2176
  Dep-P Fr= 1--      0.6424                 0.1489                 0.7098
  Dep-U Fr= 1--      0.7823                 0.2592                 0.8303
 Alpha2 Fr= 1--      0.0163                 0.0958                 0.0008
 Beta2  Fr= 1--      1.0917                 0.2669                 0.1685
 AlphaG Fr= 1--      0.0271                -0.1220                 0.0009
 Gamma2 Fr= 1--     -1.7032                 1.0249                -1.6505
 Delta2 Fr= 1--     -0.0317                 0.9642                -2.2485
 Raman1 Fr= 1--      33.494                 24.718                  4.870
 ROA1   Fr= 1--    -164.525                129.241               -230.401
 CID1   Fr= 1--      -4.912                  5.229                -47.307
 Raman2 Fr= 1--      13.101                  3.203                  2.022
 ROA2   Fr= 1--     -40.625                 16.884                -21.625
 CID2   Fr= 1--      -3.101                  5.271                -10.695
 Raman3 Fr= 1--      26.202                  6.407                  4.044
 ROA3   Fr= 1--    -164.525                129.241               -230.401
 CID3   Fr= 1--      -6.279                 20.173                -56.975
 RC180  Fr= 1--       0.565                 -0.482                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.9771                10.1133                15.8449
  Dep-P Fr= 1--      0.7485                 0.1242                 0.4371
  Dep-U Fr= 1--      0.8561                 0.2209                 0.6083
 Alpha2 Fr= 1--      0.0000                 0.1668                 0.1022
 Beta2  Fr= 1--      0.1394                 0.3724                 1.6065
 AlphaG Fr= 1--     -0.0047                -0.0514                -0.0039
 Gamma2 Fr= 1--     -0.0109                -0.3370                -6.5626
 Delta2 Fr= 1--      0.0006                -0.0572                -0.7833
 Raman1 Fr= 1--       3.908                 40.453                 63.380
 ROA1   Fr= 1--      -1.026                -34.181               -655.072
 CID1   Fr= 1--      -0.262                 -0.845                -10.336
 Raman2 Fr= 1--       1.673                  4.468                 19.278
 ROA2   Fr= 1--      -0.266                 -7.630               -151.236
 CID2   Fr= 1--      -0.159                 -1.708                 -7.845
 Raman3 Fr= 1--       3.346                  8.937                 38.557
 ROA3   Fr= 1--      -1.026                -34.181               -655.072
 CID3   Fr= 1--      -0.307                 -3.825                -16.990
 RC180  Fr= 1--       0.712                 -0.558                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     18.0489                59.5412                 2.9940
  Dep-P Fr= 1--      0.7494                 0.2482                 0.3006
  Dep-U Fr= 1--      0.8568                 0.3977                 0.4622
 Alpha2 Fr= 1--      0.0002                 0.7093                 0.0307
 Beta2  Fr= 1--      2.5773                 3.9464                 0.2307
 AlphaG Fr= 1--     -0.0035                 0.1283                 0.0513
 Gamma2 Fr= 1--      1.4163                13.7213                 1.8641
 Delta2 Fr= 1--     -0.0852                -0.2320                -0.0734
 Raman1 Fr= 1--      72.196                238.165                 11.976
 ROA1   Fr= 1--     133.233               1309.822                176.604
 CID1   Fr= 1--       1.845                  5.500                 14.747
 Raman2 Fr= 1--      30.927                 47.357                  2.768
 ROA2   Fr= 1--      34.672                331.167                 45.325
 CID2   Fr= 1--       1.121                  6.993                 16.376
 Raman3 Fr= 1--      61.854                 94.714                  5.536
 ROA3   Fr= 1--     133.233               1309.822                176.604
 CID3   Fr= 1--       2.154                 13.829                 31.903
 RC180  Fr= 1--       0.714                 -0.205                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     46.4647                 4.0724                 9.6345
  Dep-P Fr= 1--      0.2577                 0.2408                 0.5788
  Dep-U Fr= 1--      0.4097                 0.3881                 0.7332
 Alpha2 Fr= 1--      0.5389                 0.0495                 0.0310
 Beta2  Fr= 1--      3.1731                 0.2634                 1.1774
 AlphaG Fr= 1--      0.3027                -0.0406                 0.0551
 Gamma2 Fr= 1--      2.0938                -4.3946                 2.0449
 Delta2 Fr= 1--     -1.3649                -0.1368                -3.6244
 Raman1 Fr= 1--     185.859                 16.290                 38.538
 ROA1   Fr= 1--     157.327               -426.256                 80.328
 CID1   Fr= 1--       0.846                -26.167                  2.084
 Raman2 Fr= 1--      38.078                  3.161                 14.128
 ROA2   Fr= 1--      61.170               -104.376                 78.072
 CID2   Fr= 1--       1.606                -33.017                  5.526
 Raman3 Fr= 1--      76.155                  6.322                 28.257
 ROA3   Fr= 1--     157.327               -426.256                 80.328
 CID3   Fr= 1--       2.066                -67.419                  2.843
 RC180  Fr= 1--      -0.181                 -0.224                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     41.2958                 2.3952                 3.3897
  Dep-P Fr= 1--      0.2281                 0.3168                 0.5660
  Dep-U Fr= 1--      0.3714                 0.4812                 0.7229
 Alpha2 Fr= 1--      0.5200                 0.0233                 0.0118
 Beta2  Fr= 1--      2.5563                 0.1921                 0.4084
 AlphaG Fr= 1--      0.1393                 0.0162                 0.0246
 Gamma2 Fr= 1--      1.2373                -0.2129                -2.7855
 Delta2 Fr= 1--     -0.6407                 0.3584                -4.0857
 Raman1 Fr= 1--     165.183                  9.581                 13.559
 ROA1   Fr= 1--      98.279                 -8.973               -398.150
 CID1   Fr= 1--       0.595                 -0.937                -29.365
 Raman2 Fr= 1--      30.676                  2.305                  4.901
 ROA2   Fr= 1--      34.821                 -7.977                -34.166
 CID2   Fr= 1--       1.135                 -3.461                 -6.972
 Raman3 Fr= 1--      61.351                  4.610                  9.801
 ROA3   Fr= 1--      98.279                 -8.973               -398.150
 CID3   Fr= 1--       1.602                 -1.946                -40.622
 RC180  Fr= 1--      -0.257                 -0.038                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     96.0349               116.5348                17.8673
  Dep-P Fr= 1--      0.2047                 0.2068                 0.2423
  Dep-U Fr= 1--      0.3398                 0.3427                 0.3901
 Alpha2 Fr= 1--      1.2881                 1.5542                 0.2163
 Beta2  Fr= 1--      5.4388                 6.6564                 1.1617
 AlphaG Fr= 1--     -0.4750                 0.3964                 0.1098
 Gamma2 Fr= 1--     -0.0094                 0.4032                 1.7387
 Delta2 Fr= 1--      9.0002                 1.8654                 1.9756
 Raman1 Fr= 1--     384.140                466.139                 71.469
 ROA1   Fr= 1--     287.105                 98.405                230.138
 CID1   Fr= 1--       0.747                  0.211                  3.220
 Raman2 Fr= 1--      65.266                 79.877                 13.941
 ROA2   Fr= 1--     -72.228                 -5.246                 25.925
 CID2   Fr= 1--      -1.107                 -0.066                  1.860
 Raman3 Fr= 1--     130.532                159.754                 27.882
 ROA3   Fr= 1--     287.105                 98.405                230.138
 CID3   Fr= 1--       2.199                  0.616                  8.254
 RC180  Fr= 1--      -0.320                 -0.315                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    416.5102               231.7034                 6.3221
  Dep-P Fr= 1--      0.1989                 0.2601                 0.5066
  Dep-U Fr= 1--      0.3318                 0.4129                 0.6725
 Alpha2 Fr= 1--      5.6725                 2.6689                 0.0303
 Beta2  Fr= 1--     23.0354                15.9432                 0.7086
 AlphaG Fr= 1--      2.5431                -0.1555                 0.0144
 Gamma2 Fr= 1--      2.0871                 5.7712                -0.9085
 Delta2 Fr= 1--     -7.6187                -0.4076                 0.2879
 Raman1 Fr= 1--    1666.041                926.814                 25.289
 ROA1   Fr= 1--     -43.439                540.990                -78.006
 CID1   Fr= 1--      -0.026                  0.584                 -3.085
 Raman2 Fr= 1--     276.425                191.319                  8.504
 ROA2   Fr= 1--     111.039                141.770                -24.108
 CID2   Fr= 1--       0.402                  0.741                 -2.835
 Raman3 Fr= 1--     552.850                382.637                 17.008
 ROA3   Fr= 1--     -43.439                540.990                -78.006
 CID3   Fr= 1--      -0.079                  1.414                 -4.587
 RC180  Fr= 1--      -0.336                 -0.174                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     12.4714                 5.2712                18.8967
  Dep-P Fr= 1--      0.7500                 0.7433                 0.4600
  Dep-U Fr= 1--      0.8571                 0.8527                 0.6301
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.1112
 Beta2  Fr= 1--      1.7816                 0.7492                 1.9845
 AlphaG Fr= 1--     -0.0001                 0.0100                 0.0006
 Gamma2 Fr= 1--     -0.1209                 1.0251                 0.3140
 Delta2 Fr= 1--     -0.0354                -0.9428                 0.1227
 Raman1 Fr= 1--      49.886                 21.085                 75.587
 ROA1   Fr= 1--     -12.743                 68.238                 34.074
 CID1   Fr= 1--      -0.255                  3.236                  0.451
 Raman2 Fr= 1--      21.380                  8.990                 23.814
 ROA2   Fr= 1--      -2.619                 32.144                  6.555
 CID2   Fr= 1--      -0.123                  3.576                  0.275
 Raman3 Fr= 1--      42.759                 17.980                 47.628
 ROA3   Fr= 1--     -12.743                 68.238                 34.074
 CID3   Fr= 1--      -0.298                  3.795                  0.715
 RC180  Fr= 1--       0.714                  0.705                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--      8.9537               120.5134                22.2423
  Dep-P Fr= 1--      0.4572                 0.2720                 0.1825
  Dep-U Fr= 1--      0.6275                 0.4277                 0.3086
 Alpha2 Fr= 1--      0.0533                 1.3417                 0.3163
 Beta2  Fr= 1--      0.9364                 8.5912                 1.1440
 AlphaG Fr= 1--      0.1774                 0.1818                 0.3451
 Gamma2 Fr= 1--      1.0930                 2.0167                 2.8403
 Delta2 Fr= 1--      1.8147                -0.1747                -0.4254
 Raman1 Fr= 1--      35.815                482.054                 88.969
 ROA1   Fr= 1--     162.999                188.016                259.053
 CID1   Fr= 1--       4.551                  0.390                  2.912
 Raman2 Fr= 1--      11.236                103.095                 13.728
 ROA2   Fr= 1--      11.715                 49.799                 71.569
 CID2   Fr= 1--       1.043                  0.483                  5.213
 Raman3 Fr= 1--      22.472                206.189                 27.456
 ROA3   Fr= 1--     162.999                188.016                259.053
 CID3   Fr= 1--       7.253                  0.912                  9.435
 RC180  Fr= 1--       0.255                 -0.145                 -0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     65.2019                 3.4950               270.7577
  Dep-P Fr= 1--      0.5143                 0.3980                 0.3774
  Dep-U Fr= 1--      0.6793                 0.5694                 0.5480
 Alpha2 Fr= 1--      0.3006                 0.0261                 2.1700
 Beta2  Fr= 1--      7.3819                 0.3317                24.7300
 AlphaG Fr= 1--      0.4478                -0.0567                 1.0916
 Gamma2 Fr= 1--     -1.5654                -1.6452                 6.9669
 Delta2 Fr= 1--     -3.7147                -3.2306                -0.2856
 Raman1 Fr= 1--     260.808                 13.980               1083.031
 ROA1   Fr= 1--    -269.144               -261.315                659.683
 CID1   Fr= 1--      -1.032                -18.692                  0.609
 Raman2 Fr= 1--      88.583                  3.980                296.760
 ROA2   Fr= 1--      -7.851                -13.640                169.491
 CID2   Fr= 1--      -0.089                 -3.427                  0.571
 Raman3 Fr= 1--     177.165                  7.960                593.519
 ROA3   Fr= 1--    -269.144               -261.315                659.683
 CID3   Fr= 1--      -1.519                -32.828                  1.111
 RC180  Fr= 1--       0.359                  0.139                  0.096
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     15.2941               226.0020               183.3962
  Dep-P Fr= 1--      0.2768                 0.0353                 0.0166
  Dep-U Fr= 1--      0.4335                 0.0681                 0.0327
 Alpha2 Fr= 1--      0.1680                 4.6232                 3.9199
 Beta2  Fr= 1--      1.1051                 2.5656                 1.0002
 AlphaG Fr= 1--      0.2994                 0.4528                 0.2879
 Gamma2 Fr= 1--      1.3585                 1.3205                 1.4583
 Delta2 Fr= 1--      0.4443                -0.9161                 1.0055
 Raman1 Fr= 1--      61.176                904.008                733.585
 ROA1   Fr= 1--     144.631                 97.455                172.170
 CID1   Fr= 1--       2.364                  0.108                  0.235
 Raman2 Fr= 1--      13.261                 30.787                 12.003
 ROA2   Fr= 1--      29.049                 39.021                 26.954
 CID2   Fr= 1--       2.190                  1.267                  2.246
 Raman3 Fr= 1--      26.523                 61.574                 24.006
 ROA3   Fr= 1--     144.631                 97.455                172.170
 CID3   Fr= 1--       5.453                  1.583                  7.172
 RC180  Fr= 1--      -0.133                 -0.864                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     78.8279                64.3200                48.4910
  Dep-P Fr= 1--      0.3175                 0.7499                 0.3578
  Dep-U Fr= 1--      0.4820                 0.8570                 0.5271
 Alpha2 Fr= 1--      0.7667                 0.0002                 0.4149
 Beta2  Fr= 1--      6.3326                 9.1875                 4.2598
 AlphaG Fr= 1--      1.5301                 0.0434                -1.3918
 Gamma2 Fr= 1--     -3.2615                 2.3287                 2.3029
 Delta2 Fr= 1--      1.0804                 2.2541                 0.0058
 Raman1 Fr= 1--     315.312                257.280                193.964
 ROA1   Fr= 1--    -278.530                295.690                221.267
 CID1   Fr= 1--      -0.883                  1.149                  1.141
 Raman2 Fr= 1--      75.992                110.250                 51.117
 ROA2   Fr= 1--     -86.919                 37.857                 55.223
 CID2   Fr= 1--      -1.144                  0.343                  1.080
 Raman3 Fr= 1--     151.983                220.501                102.234
 ROA3   Fr= 1--    -278.530                295.690                221.267
 CID3   Fr= 1--      -1.833                  1.341                  2.164
 RC180  Fr= 1--      -0.036                  0.714                  0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    120.2242               177.5313                70.3234
  Dep-P Fr= 1--      0.5460                 0.4248                 0.6215
  Dep-U Fr= 1--      0.7064                 0.5963                 0.7666
 Alpha2 Fr= 1--      0.4700                 1.2004                 0.1651
 Beta2  Fr= 1--     14.1537                17.6447                 8.9848
 AlphaG Fr= 1--      0.3993                -0.1797                -0.0063
 Gamma2 Fr= 1--     -4.6859                -0.9498                 0.0591
 Delta2 Fr= 1--      4.5009                -0.9751                 1.8317
 Raman1 Fr= 1--     480.897                710.125                281.294
 ROA1   Fr= 1--    -305.817               -122.381                 64.290
 CID1   Fr= 1--      -0.636                 -0.172                  0.229
 Raman2 Fr= 1--     169.845                211.737                107.818
 ROA2   Fr= 1--    -148.469                -14.994                -13.234
 CID2   Fr= 1--      -0.874                 -0.071                 -0.123
 Raman3 Fr= 1--     339.690                423.474                215.636
 ROA3   Fr= 1--    -305.817               -122.381                 64.290
 CID3   Fr= 1--      -0.900                 -0.289                  0.298
 RC180  Fr= 1--       0.413                  0.193                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     39.1936                64.1206               144.1511
  Dep-P Fr= 1--      0.4485                 0.3685                 0.1784
  Dep-U Fr= 1--      0.6192                 0.5385                 0.3028
 Alpha2 Fr= 1--      0.2418                 0.5297                 2.0717
 Beta2  Fr= 1--      4.0449                 5.7548                 7.2752
 AlphaG Fr= 1--      0.0639                 0.1173                 0.0040
 Gamma2 Fr= 1--      0.2097                 0.9651                -0.9577
 Delta2 Fr= 1--     -0.7840                 1.5474                -1.0455
 Raman1 Fr= 1--     156.774                256.482                576.604
 ROA1   Fr= 1--      -4.962                142.169               -125.396
 CID1   Fr= 1--      -0.032                  0.554                 -0.217
 Raman2 Fr= 1--      48.539                 69.058                 87.302
 ROA2   Fr= 1--      11.304                 10.784                -14.621
 CID2   Fr= 1--       0.233                  0.156                 -0.167
 Raman3 Fr= 1--      97.078                138.115                174.604
 ROA3   Fr= 1--      -4.962                142.169               -125.396
 CID3   Fr= 1--      -0.051                  1.029                 -0.718
 RC180  Fr= 1--       0.238                  0.077                 -0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    163.1129               137.5836               155.7364
  Dep-P Fr= 1--      0.2302                 0.2331                 0.2702
  Dep-U Fr= 1--      0.3743                 0.3781                 0.4255
 Alpha2 Fr= 1--      2.0420                 1.7087                 1.7430
 Beta2  Fr= 1--     10.1748                 8.6706                11.0432
 AlphaG Fr= 1--     -0.2248                 0.1633                 2.8648
 Gamma2 Fr= 1--     -2.5463                 1.4438                31.5142
 Delta2 Fr= 1--     -0.7812                 0.5671                 4.7117
 Raman1 Fr= 1--     652.451                550.334                622.946
 ROA1   Fr= 1--    -269.439                156.751               3176.138
 CID1   Fr= 1--      -0.413                  0.285                  5.099
 Raman2 Fr= 1--     122.098                104.047                132.519
 ROA2   Fr= 1--     -54.860                 30.114                718.647
 CID2   Fr= 1--      -0.449                  0.289                  5.423
 Raman3 Fr= 1--     244.196                208.094                265.038
 ROA3   Fr= 1--    -269.439                156.751               3176.138
 CID3   Fr= 1--      -1.103                  0.753                 11.984
 RC180  Fr= 1--      -0.251                 -0.244                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299428D+03  0.128912D+02 -0.154299D+02
      2   0.128912D+02  0.170907D+03 -0.523792D+01
      3  -0.154299D+02 -0.523792D+01  0.117201D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.922088D+01 -0.283990D+02  0.121123D+02
      2   0.753971D+02  0.156978D+02  0.135215D+02
      3   0.400591D+02  0.524363D+02 -0.197355D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.315707D+03 -0.378249D+02  0.852655D+02
      2   0.148999D+03  0.194703D+02 -0.424389D+02
      3   0.166708D+03  0.183545D+02 -0.428267D+02
      4  -0.496214D+02 -0.110250D+03  0.378491D+02
      5   0.175578D+02  0.417880D+02  0.360109D+02
      6   0.114594D+02 -0.680736D+02 -0.337374D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.396571D+02  0.844582D+01 -0.382478D+01 -0.447728D+02 -0.589073D+01
      2   0.844582D+01  0.502522D+01 -0.170163D+01 -0.589073D+01 -0.590662D+01
      3  -0.382478D+01 -0.170163D+01  0.547369D-01  0.499900D+01  0.102515D+01
                 6             7             8             9            10 
      1   0.499900D+01  0.101808D+01 -0.292473D+00  0.122054D+01 -0.319904D+02
      2   0.102515D+01 -0.292473D+00 -0.999756D-01 -0.792900D+00 -0.639740D+01
      3  -0.479156D+00  0.122054D+01 -0.792900D+00  0.146751D+00  0.286864D+01
                11            12            13            14            15 
      1  -0.639740D+01  0.286864D+01  0.495528D+02  0.728037D+01 -0.565398D+01
      2  -0.104911D+01  0.444382D+00  0.728037D+01  0.768071D+01 -0.169241D+01
      3   0.444382D+00 -0.400655D+00 -0.565398D+01 -0.169241D+01  0.496171D+00
                16            17            18            19            20 
      1  -0.139919D+01  0.404619D-01 -0.555573D+00 -0.451349D+02 -0.959784D+01
      2   0.404619D-01 -0.456190D+00  0.104693D+01 -0.959784D+01 -0.973321D+01
      3  -0.555573D+00  0.104693D+01 -0.325628D+00  0.385947D+01  0.169931D+01
                21            22            23            24            25 
      1   0.385947D+01 -0.165436D+02 -0.197241D+01  0.240692D+00  0.724517D+01
      2   0.169931D+01 -0.197241D+01 -0.570604D+01  0.558403D+00  0.220218D+00
      3  -0.597808D+00  0.240692D+00  0.558403D+00 -0.211644D+01  0.138233D+00
                26            27            28            29            30 
      1   0.220218D+00  0.138233D+00  0.463857D+02  0.492455D+01 -0.109541D+01
      2   0.112984D+01 -0.374848D+01  0.492455D+01  0.431251D+01 -0.616973D+00
      3  -0.374848D+01  0.481893D+00 -0.109541D+01 -0.616973D+00  0.212983D+01
                31            32            33            34            35 
      1   0.807100D+01  0.212545D+01 -0.261560D+00 -0.467976D+01 -0.869330D-01
      2   0.212545D+01  0.158796D+02 -0.276985D+01 -0.869330D-01 -0.280228D+01
      3  -0.261560D+00 -0.276985D+01  0.406701D+00  0.590820D+01  0.126831D+01
                36            37            38            39            40 
      1   0.590820D+01  0.921088D+01 -0.192528D+01 -0.106296D+00  0.544924D+01
      2   0.126831D+01 -0.192528D+01  0.123226D+02 -0.125098D+01  0.138088D+01
      3  -0.131689D+01 -0.106296D+00 -0.125098D+01  0.207671D+01  0.535239D+00
                41            42            43            44            45 
      1   0.138088D+01  0.535239D+00 -0.654110D+00  0.100990D+01  0.450382D+01
      2  -0.905316D+01  0.161567D+01  0.100990D+01 -0.279768D+00  0.191567D+01
      3   0.161567D+01  0.617325D+00  0.450382D+01  0.191567D+01 -0.234951D+01
                46            47            48            49            50 
      1  -0.149544D+02  0.169644D+01  0.153455D+01 -0.939736D-02  0.213470D+01
      2   0.169644D+01 -0.892940D+01  0.183487D+01  0.213470D+01 -0.165299D+00
      3   0.153455D+01  0.183487D+01 -0.188826D+01 -0.123989D+00  0.445296D+00
                51            52            53            54            55 
      1  -0.123989D+00  0.170841D+01  0.458687D-01 -0.146723D+01  0.457887D+01
      2   0.445296D+00  0.458687D-01  0.201153D+01  0.383108D+01 -0.317093D+01
      3   0.155062D+01 -0.146723D+01  0.383108D+01 -0.714958D+00 -0.221949D+00
                56            57            58            59            60 
      1  -0.317093D+01 -0.221949D+00 -0.188256D+01 -0.352975D+01  0.240194D+00
      2   0.497179D+01 -0.195353D+00 -0.352975D+01 -0.183399D+01  0.688567D-01
      3  -0.195353D+00  0.183642D+01  0.240194D+00  0.688567D-01 -0.153351D+01
                61            62            63            64            65 
      1  -0.390122D+00  0.307016D+00  0.331863D+00  0.118128D+01 -0.218863D+01
      2   0.307016D+00 -0.126593D+01 -0.378705D+01 -0.218863D+01  0.913917D+00
      3   0.331863D+00 -0.378705D+01  0.479791D+00 -0.115777D+00  0.262116D+00
                66            67            68            69            70 
      1  -0.115777D+00 -0.286260D+01  0.289495D+01  0.116871D+00 -0.272055D+00
      2   0.262116D+00  0.289495D+01 -0.649352D+01 -0.759483D-01  0.178819D+00
      3   0.750315D-01  0.116871D+00 -0.759483D-01 -0.777986D+00  0.677173D-02
                71            72            73            74            75 
      1   0.178819D+00  0.677173D-02  0.630025D+01  0.337467D+01 -0.106632D+01
      2   0.387279D+00 -0.155518D+00  0.337467D+01  0.333499D+01 -0.746517D+00
      3  -0.155518D+00 -0.134760D-01 -0.106632D+01 -0.746517D+00  0.733957D+00
                76            77            78            79            80 
      1   0.375223D+01  0.441476D+01 -0.953488D+00 -0.142270D+01 -0.929503D+00
      2   0.441476D+01  0.532887D+01 -0.109526D+01 -0.929503D+00 -0.899743D+00
      3  -0.953488D+00 -0.109526D+01  0.955491D+00 -0.541454D-01  0.620257D+00
                81            82            83            84            85 
      1  -0.541454D-01 -0.106779D+01  0.161052D+01 -0.896029D-01  0.666749D+00
      2   0.620257D+00  0.161052D+01 -0.224451D+01  0.126403D+00 -0.136349D+01
      3  -0.251686D+00 -0.896029D-01  0.126403D+00 -0.210028D+00  0.231821D+00
                86            87            88            89            90 
      1  -0.136349D+01  0.231821D+00  0.222339D-01 -0.389104D-01  0.954705D-01
      2   0.108755D+02 -0.104533D+01 -0.389104D-01 -0.904000D+00  0.446315D+00
      3  -0.104533D+01  0.108770D+01  0.954705D-01  0.446315D+00 -0.183116D+00
                91            92            93            94            95 
      1  -0.200239D+02 -0.307554D+01 -0.191016D+01 -0.104717D+01 -0.222855D+01
      2  -0.307554D+01 -0.912619D+00 -0.337321D+00 -0.222855D+01  0.137773D+01
      3  -0.191016D+01 -0.337321D+00 -0.316611D+01  0.250564D+00  0.330288D+01
                96            97            98            99           100 
      1   0.250564D+00 -0.669726D+01 -0.605919D+00 -0.601275D+01 -0.766727D+01
      2   0.330288D+01 -0.605919D+00  0.224600D+01 -0.167657D+01  0.155084D+01
      3  -0.727247D+00 -0.601275D+01 -0.167657D+01 -0.644242D+00  0.188681D+01
               101           102           103           104           105 
      1   0.155084D+01  0.188681D+01 -0.139800D+01  0.233976D+01  0.605019D+00
      2   0.169221D+01  0.713593D+00  0.233976D+01 -0.157427D+01 -0.335811D+01
      3   0.713593D+00  0.342263D+01  0.605019D+00 -0.335811D+01  0.117139D+01
               106           107           108           109           110 
      1   0.190274D+01  0.770807D+00  0.247339D+01 -0.309113D+01 -0.949153D+00
      2   0.770807D+00 -0.244409D+01  0.242864D+01 -0.949153D+00 -0.499002D+00
      3   0.247339D+01  0.242864D+01  0.317010D+01  0.146997D+00 -0.378017D+00
               111           112           113           114           115 
      1   0.146997D+00 -0.111176D+01  0.724228D+00  0.570852D-01  0.109582D+02
      2  -0.378017D+00  0.724228D+00 -0.154109D+00 -0.954530D-01  0.360098D+00
      3   0.703837D+00  0.570852D-01 -0.954530D-01  0.525936D+00  0.494126D+01
               116           117           118           119           120 
      1   0.360098D+00  0.494126D+01  0.369886D+01  0.187290D+01 -0.154504D+01
      2   0.267006D+00  0.288203D+00  0.187290D+01  0.979108D+00 -0.501017D+00
      3   0.288203D+00  0.681927D+00 -0.154504D+01 -0.501017D+00  0.165303D+01
               121           122           123           124           125 
      1   0.528833D+01  0.169777D+01 -0.106304D+01 -0.221637D+01 -0.551714D+00
      2   0.169777D+01  0.260471D+01 -0.199146D+01 -0.551714D+00 -0.186142D+01
      3  -0.106304D+01 -0.199146D+01  0.179091D+01  0.259839D+01  0.169625D+01
               126           127           128           129           130 
      1   0.259839D+01 -0.757837D+00 -0.262474D+00 -0.134268D+01  0.290670D+00
      2   0.169625D+01 -0.262474D+00 -0.104456D+01 -0.884085D+00 -0.392664D+00
      3  -0.348062D+01 -0.134268D+01 -0.884085D+00 -0.244726D+01 -0.113438D+00
               131           132           133           134           135 
      1  -0.392664D+00 -0.113438D+00 -0.171258D+01  0.254805D+00 -0.482354D+00
      2  -0.108424D+01 -0.105702D+01  0.254805D+00 -0.180111D+01 -0.248988D+01
      3  -0.105702D+01 -0.139323D+01 -0.482354D+00 -0.248988D+01 -0.733781D+01
               136           137           138           139           140 
      1  -0.117810D-01 -0.551388D+00  0.460182D+00 -0.120336D+01  0.301649D+00
      2  -0.551388D+00 -0.913626D+00  0.250628D-01  0.301649D+00 -0.443063D+01
      3   0.460182D+00  0.250628D-01 -0.777654D+00 -0.479625D-02  0.159206D+01
               141           142           143           144           145 
      1  -0.479625D-02  0.133054D+01 -0.671207D+00 -0.371839D+00  0.122012D+02
      2   0.159206D+01 -0.671207D+00  0.284003D+01 -0.153673D+01 -0.306563D+01
      3  -0.152982D+01 -0.371839D+00 -0.153673D+01  0.192705D+01 -0.218348D+01
               146           147           148           149           150 
      1  -0.306563D+01 -0.218348D+01 -0.169925D+01  0.142122D+01  0.195289D+00
      2   0.184226D+01  0.723261D+00  0.142122D+01 -0.510610D+00 -0.132890D-01
      3   0.723261D+00  0.143555D+01  0.195289D+00 -0.132890D-01 -0.147105D+00
               151           152           153           154           155 
      1  -0.138471D+01  0.270817D+00  0.135609D+01  0.186848D+02  0.258463D+01
      2   0.270817D+00  0.679471D-01 -0.604317D+00  0.258463D+01  0.226638D+01
      3   0.135609D+01 -0.604317D+00 -0.999627D+00  0.135135D+01  0.632545D+00
               156           157           158           159           160 
      1   0.135135D+01  0.342082D+01  0.411788D+01  0.230699D+00  0.232959D+01
      2   0.632545D+00  0.411788D+01  0.201185D+01  0.461560D+00  0.522513D+00
      3   0.300923D+01  0.230699D+00  0.461560D+00  0.368218D+00  0.298552D+01
               161           162           163           164           165 
      1   0.522513D+00  0.298552D+01  0.113348D+02  0.400459D+00  0.445565D+01
      2  -0.112214D+00  0.674350D+00  0.400459D+00 -0.523880D+00 -0.217423D+00
      3   0.674350D+00  0.567798D+00  0.445565D+01 -0.217423D+00  0.102681D+01
               166           167           168           169           170 
      1   0.195199D+01 -0.468226D+00  0.371100D+00  0.155572D+01 -0.400655D+00
      2  -0.468226D+00 -0.375803D+00  0.118587D+01 -0.400655D+00  0.548996D+00
      3   0.371100D+00  0.118587D+01 -0.115501D+00  0.416355D+00  0.197187D+00
               171           172           173           174           175 
      1   0.416355D+00 -0.102372D+02 -0.188330D-01 -0.249853D+01 -0.119477D+01
      2   0.197187D+00 -0.188330D-01 -0.794908D-01  0.136669D+00  0.324956D+00
      3   0.644509D+01 -0.249853D+01  0.136669D+00 -0.270624D+01 -0.305245D+00
               176           177           178           179           180 
      1   0.324956D+00 -0.305245D+00 -0.609781D+01  0.106880D+00 -0.244086D+01
      2  -0.774638D-01  0.591507D+00  0.106880D+00  0.104365D+01 -0.115011D+00
      3   0.591507D+00 -0.487340D+00 -0.244086D+01 -0.115011D+00 -0.482931D-01
               181           182           183           184           185 
      1  -0.583440D+01  0.156413D+01 -0.162842D+00 -0.133068D+02 -0.270194D+01
      2   0.156413D+01 -0.905495D+01 -0.701802D-01 -0.270194D+01  0.522006D+01
      3  -0.162842D+00 -0.701802D-01 -0.193536D+01  0.114615D+01 -0.373999D+00
               186           187           188           189           190 
      1   0.114615D+01  0.110185D+01 -0.611631D+00 -0.393613D+01 -0.413284D+02
      2  -0.373999D+00 -0.611631D+00  0.318162D-02 -0.238650D+01 -0.551322D+01
      3  -0.123199D+01 -0.393613D+01 -0.238650D+01  0.175591D+01  0.349970D+01
               191           192           193           194           195 
      1  -0.551322D+01  0.349970D+01 -0.142611D+01 -0.233468D+01 -0.594094D+00
      2  -0.897186D+01  0.105188D+01 -0.233468D+01 -0.120496D+02  0.956546D+00
      3   0.105188D+01 -0.335263D+01 -0.594094D+00  0.956546D+00  0.416018D+00
               196           197           198           199           200 
      1   0.352033D+01  0.116554D+00 -0.713186D+01  0.377845D+02  0.886432D+01
      2   0.116554D+00  0.219604D+01 -0.743208D+00  0.886432D+01  0.748761D+01
      3  -0.713186D+01 -0.743208D+00  0.178286D+01 -0.413384D+01 -0.733969D+00
               201           202           203           204           205 
      1  -0.413384D+01  0.164888D+02  0.362572D+01 -0.177264D+01 -0.628116D+01
      2  -0.733969D+00  0.362572D+01  0.549601D+01 -0.192874D+00 -0.913699D+00
      3   0.617495D+00 -0.177264D+01 -0.192874D+00  0.226792D+01  0.598082D+00
               206           207           208           209           210 
      1  -0.913699D+00  0.598082D+00  0.121258D+02  0.402391D+01 -0.179281D+01
      2  -0.592757D+00  0.435423D+01  0.402391D+01  0.318905D+01 -0.731154D+00
      3   0.435423D+01 -0.120923D+01 -0.179281D+01 -0.731154D+00  0.614528D-01
               211           212           213           214           215 
      1  -0.204080D+01 -0.294026D+01  0.401809D+00 -0.130432D+01 -0.106874D+00
      2  -0.294026D+01  0.141592D+01  0.162302D+00 -0.106874D+00 -0.373854D+00
      3   0.401809D+00  0.162302D+00 -0.972308D+00  0.564030D-01  0.764805D+00
               216           217           218           219           220 
      1   0.564030D-01  0.173552D+00 -0.409541D+01  0.706051D+00 -0.449524D+01
      2   0.764805D+00 -0.409541D+01 -0.466525D+00  0.111118D+01  0.257536D+01
      3   0.260540D-01  0.706051D+00  0.111118D+01  0.102247D+00  0.121847D+01
               221           222           223           224           225 
      1   0.257536D+01  0.121847D+01  0.886299D+00  0.103385D+01  0.186017D+01
      2   0.162013D+01  0.672455D+00  0.103385D+01  0.823071D+00  0.406276D+01
      3   0.672455D+00  0.557543D+01  0.186017D+01  0.406276D+01 -0.196908D+01
               226           227           228           229           230 
      1   0.668280D+00 -0.151028D+01  0.819282D-01 -0.527245D+00  0.767939D+00
      2  -0.151028D+01  0.202163D+01 -0.340126D-01  0.767939D+00 -0.981655D+01
      3   0.819282D-01 -0.340126D-01  0.162681D+00 -0.122597D+00  0.680815D+00
               231           232           233           234           235 
      1  -0.122597D+00 -0.271898D-01  0.460810D-01 -0.764428D-01 -0.648953D+01
      2   0.680815D+00  0.460810D-01  0.710833D+00 -0.339889D+00 -0.320419D+01
      3  -0.963753D+00 -0.764428D-01 -0.339889D+00  0.150836D+00  0.103690D+01
               236           237           238           239           240 
      1  -0.320419D+01  0.103690D+01 -0.474746D+01 -0.432071D+01  0.931095D+00
      2  -0.264865D+01  0.551041D+00 -0.432071D+01 -0.479990D+01  0.885844D+00
      3   0.551041D+00 -0.531216D+00  0.931095D+00  0.885844D+00 -0.823382D+00
               241           242           243           244           245 
      1   0.142177D+01  0.892441D+00  0.131215D+00 -0.138751D+01  0.258027D+01
      2   0.892441D+00  0.822009D+00 -0.346058D+00  0.258027D+01 -0.206744D+01
      3   0.131215D+00 -0.346058D+00  0.110033D+00 -0.209680D+00 -0.470461D-01
               246           247           248           249           250 
      1  -0.209680D+00  0.305578D+01 -0.360321D+01  0.167796D+00 -0.267360D+00
      2  -0.470461D-01 -0.360321D+01  0.838921D+01 -0.405983D+00  0.739405D-01
      3  -0.286638D+00  0.167796D+00 -0.405983D+00  0.100886D+01 -0.294256D+00
               251           252           253           254           255 
      1   0.739405D-01 -0.294256D+00  0.586234D+00 -0.217674D-02  0.938453D+00
      2  -0.591933D+00  0.269949D+00 -0.217674D-02  0.357216D+00 -0.553715D-01
      3   0.269949D+00 -0.107372D+00  0.938453D+00 -0.553715D-01  0.437384D+00
               256           257           258           259           260 
      1  -0.114707D+01 -0.149198D+01  0.969570D+00  0.368231D+01  0.112958D+01
      2  -0.149198D+01 -0.220686D+01  0.190441D+01  0.112958D+01  0.179037D+01
      3   0.969570D+00  0.190441D+01 -0.281057D+01 -0.278226D+01 -0.267972D+01
               261           262           263           264           265 
      1  -0.278226D+01 -0.989234D+00 -0.690776D+00 -0.146010D+01 -0.258848D+01
      2  -0.267972D+01 -0.690776D+00 -0.258663D+00 -0.526218D+00 -0.255040D+01
      3   0.627892D+01 -0.146010D+01 -0.526218D+00 -0.134908D+00 -0.135960D+01
               266           267           268           269           270 
      1  -0.255040D+01 -0.135960D+01 -0.454346D+01 -0.187785D+01 -0.221270D+01
      2  -0.350660D+01 -0.204525D+01 -0.187785D+01 -0.236564D+01 -0.249137D+01
      3  -0.204525D+01 -0.252311D+01 -0.221270D+01 -0.249137D+01 -0.353740D+01
               271           272           273           274           275 
      1  -0.136061D+02  0.272570D+01  0.932626D+00  0.601615D+01 -0.233860D+01
      2   0.272570D+01 -0.131898D+01 -0.285054D+00 -0.233860D+01  0.184496D+01
      3   0.932626D+00 -0.285054D+00 -0.110428D+01 -0.579991D+00  0.102614D+00
               276           277           278           279 
      1  -0.579991D+00  0.666904D+00 -0.293292D+00 -0.180336D+01
      2   0.102614D+00 -0.293292D+00 -0.368928D-01  0.282820D-01
      3   0.393727D+00 -0.180336D+01  0.282820D-01  0.483939D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195186D+01  0.389159D+01 -0.277199D+00  0.531520D+01  0.546839D+01
      2   0.140596D+02  0.606696D+01 -0.119679D+01 -0.142322D+02  0.225396D+00
      3  -0.225066D+01  0.388138D+02 -0.337978D+01  0.312358D+02  0.229364D+02
                 6             7             8             9            10 
      1  -0.102256D+01  0.331624D+01  0.714685D+01 -0.840102D+00  0.167965D+01
      2   0.762599D+00 -0.186741D+02 -0.237749D+01  0.212323D+01 -0.168096D+02
      3  -0.470334D+01 -0.279074D+01 -0.834254D+01 -0.237870D+00 -0.217218D+01
                11            12            13            14            15 
      1   0.662289D+01 -0.666481D+00  0.621572D+01  0.836656D+00  0.223428D+00
      2   0.110541D+01 -0.266982D+01  0.206059D+02  0.399050D+01 -0.271832D+01
      3   0.458876D+02 -0.391647D+01  0.609294D+02  0.227105D+02 -0.836829D+01
                16            17            18            19            20 
      1   0.184183D+01  0.624015D+01 -0.939397D+00  0.288803D+01 -0.253487D+00
      2  -0.200202D+02 -0.149550D+01  0.259425D+01 -0.215635D+02 -0.762438D+01
      3  -0.473358D+01 -0.845363D+01  0.213508D+01  0.102279D+02 -0.308357D+02
                21            22            23            24            25 
      1  -0.526499D+00 -0.489844D+00  0.377705D+01 -0.243232D+01  0.425648D+01
      2   0.626914D+00 -0.106326D+02 -0.139867D+01 -0.118713D+01 -0.172359D+02
      3   0.170030D+01  0.313854D+01  0.170298D+01 -0.654291D-01  0.339345D+01
                26            27            28            29            30 
      1   0.156911D+01  0.256607D+01  0.248996D+01  0.674219D+00 -0.433824D+00
      2  -0.645512D+01  0.220498D+01  0.263075D+02  0.330535D+01  0.925413D+00
      3   0.498277D+01  0.251364D+01  0.109239D+02  0.724243D+01 -0.687087D+00
                31            32            33            34            35 
      1   0.588306D+01 -0.581915D+01  0.281073D+01 -0.142864D+01  0.138288D+02
      2   0.398550D+01 -0.193988D+00  0.575863D-01 -0.129437D+02 -0.101032D+01
      3   0.278847D+02  0.500357D+01  0.163830D+01 -0.325744D+01 -0.165774D+01
                36            37            38            39            40 
      1  -0.243012D+01  0.180859D+01 -0.474202D+01 -0.411699D+01 -0.336065D+01
      2   0.119131D+01  0.300263D+01  0.261708D+00  0.231203D+01  0.329217D+01
      3  -0.270527D+00  0.273131D+02  0.240402D+01 -0.722628D+00 -0.311655D+01
                41            42            43            44            45 
      1   0.527579D+01 -0.118561D+01 -0.154942D+02  0.750956D+01  0.146371D+01
      2   0.222866D+01  0.980687D+00 -0.851323D+01  0.679566D+01  0.113423D+01
      3   0.181073D+01 -0.126978D+01 -0.262185D+00 -0.171376D+01  0.663231D+01
                46            47            48            49            50 
      1  -0.480010D+01 -0.502323D-01  0.419480D+01 -0.164726D+01 -0.354834D+01
      2  -0.897357D+01 -0.151700D+01  0.957143D+00 -0.177482D+01 -0.131046D+01
      3  -0.475165D+02 -0.333074D+02  0.625339D+01 -0.740568D+01 -0.221865D+02
                51            52            53            54            55 
      1  -0.322865D+01  0.877613D+01 -0.402597D+01 -0.301014D+01 -0.147902D+01
      2   0.921645D+00 -0.164179D+02  0.120156D+01  0.173336D+00 -0.575877D+01
      3   0.300470D+01  0.752489D+01  0.570435D+01 -0.652257D+01 -0.289454D+02
                56            57            58            59            60 
      1  -0.552608D+01  0.454889D+01  0.104709D+01 -0.293638D+01 -0.224302D+01
      2  -0.389300D+01 -0.403108D+01 -0.327808D+01 -0.286922D+01  0.387307D+01
      3  -0.337463D+02  0.484723D+01 -0.214088D+01 -0.248247D+02  0.138216D+01
                61            62            63            64            65 
      1   0.598652D+01 -0.203609D+01 -0.686375D+00  0.460280D+00  0.742375D+00
      2  -0.206092D+02  0.565061D+01  0.803066D+00 -0.248130D+00 -0.305447D+00
      3   0.401485D+01  0.559796D+01 -0.105392D+02 -0.925653D+00  0.149163D+01
                66            67            68            69            70 
      1   0.587751D+00 -0.404219D+00  0.167721D+01 -0.339805D+01  0.456142D+00
      2  -0.880059D-01 -0.621686D+00  0.851569D+00 -0.108431D+01 -0.183000D+01
      3  -0.732509D-02  0.536995D+01  0.413498D+01 -0.517061D+00 -0.799456D-01
                71            72            73            74            75 
      1   0.197442D+01 -0.262126D+00 -0.202067D+00 -0.124073D+01 -0.238186D+01
      2   0.136845D+01 -0.343018D-01  0.371660D+01  0.133806D+01  0.167757D+01
      3  -0.542355D+00 -0.791778D+00  0.961863D+01  0.259377D+00 -0.846442D+00
                76            77            78            79            80 
      1  -0.147692D+01 -0.204814D+01 -0.267677D+01  0.268005D+01  0.108689D+01
      2   0.164370D+01  0.147928D+01  0.216898D+01 -0.306475D+01  0.161198D+00
      3   0.161918D+01 -0.126225D+01 -0.585123D-01 -0.185545D+01  0.109883D+00
                81            82            83            84            85 
      1  -0.133822D+00 -0.117253D+01  0.143777D+01  0.130287D+01  0.316957D+00
      2  -0.592214D+00 -0.855171D+00  0.887295D+00  0.630808D+00  0.699440D+00
      3  -0.988157D+00 -0.515852D+01  0.290427D+01  0.138114D-01  0.524120D+01
                86            87            88            89            90 
      1  -0.421382D+01 -0.453453D+01 -0.137368D+01  0.211110D+01  0.305012D+00
      2  -0.124958D+01 -0.836748D+00 -0.215661D+00 -0.813599D+00  0.196944D+00
      3  -0.389311D+01  0.677989D+00  0.567284D+00  0.430440D+00  0.828652D+00
                91            92            93            94            95 
      1  -0.218462D+00  0.122221D+01 -0.155085D+00 -0.111585D+01  0.242398D-01
      2  -0.199283D+02 -0.221785D+01 -0.990160D+01  0.178796D+00  0.869867D+01
      3   0.153602D+01 -0.970431D+00 -0.912370D+00  0.171934D+02 -0.684673D+01
                96            97            98            99           100 
      1  -0.330678D+01 -0.253500D+01  0.375077D+01  0.340921D+01  0.632001D+00
      2  -0.213219D+01 -0.372873D+02 -0.542144D+01 -0.593109D+01 -0.302715D+01
      3  -0.133610D+02 -0.340716D+00 -0.116030D+02  0.540762D+01  0.109730D+02
               101           102           103           104           105 
      1  -0.322331D+01  0.382754D+01 -0.125598D+01 -0.385495D+01  0.571456D+01
      2   0.453175D+01  0.167911D+02  0.132391D+01 -0.880963D+01  0.530841D+01
      3  -0.165966D+02 -0.657626D+01 -0.107654D+02  0.112997D+01  0.141949D+02
               106           107           108           109           110 
      1   0.532465D+00  0.104576D+02  0.154851D+01 -0.382500D+01 -0.174732D+01
      2   0.837674D+01  0.962621D+01  0.142594D+02  0.204107D+02  0.253581D+01
      3  -0.490009D+01  0.992203D+01 -0.148483D+02  0.830862D-01  0.151391D+02
               111           112           113           114           115 
      1   0.429489D+01 -0.116836D+02 -0.363901D+01 -0.163625D+02  0.323764D+01
      2   0.910478D+00 -0.508401D+00  0.842183D+00 -0.234901D+01  0.167073D+02
      3  -0.265544D-02  0.120703D+02  0.767915D+01  0.260236D+01 -0.252509D+00
               116           117           118           119           120 
      1  -0.465756D+01  0.156771D+01 -0.893843D+00 -0.129525D+01  0.488006D+00
      2  -0.148518D+01  0.218649D+01 -0.258919D+01 -0.366755D+00  0.568948D+01
      3   0.419685D+01 -0.291042D+00 -0.718348D+01 -0.555182D+01  0.183512D+01
               121           122           123           124           125 
      1  -0.321345D+00 -0.255718D+01  0.624707D+00  0.325661D+00  0.279489D+01
      2   0.892145D+00 -0.523136D+01  0.564510D+01  0.563919D+01  0.499899D+01
      3  -0.187382D+01 -0.942821D+01  0.720545D+01  0.163367D+01  0.798985D+01
               126           127           128           129           130 
      1  -0.993874D+00 -0.131000D+01  0.144038D+01 -0.273409D+01  0.424000D+00
      2  -0.914376D+01 -0.775977D+01 -0.286000D+01 -0.949479D+01 -0.189008D+00
      3  -0.640180D+01  0.417055D+01  0.471363D+01  0.604287D+01  0.344825D+01
               131           132           133           134           135 
      1  -0.178722D+00 -0.212034D+01 -0.183326D+01  0.104727D+01 -0.783572D+01
      2  -0.429085D+01 -0.517079D+01 -0.649652D+01 -0.825607D+01 -0.258755D+02
      3   0.436415D+01  0.475485D+01  0.295467D+01  0.617278D+01  0.123992D+02
               136           137           138           139           140 
      1   0.211114D+01  0.133502D+01 -0.217102D+01  0.390892D+00  0.819239D+01
      2   0.231615D+01 -0.736747D+00 -0.195287D+01 -0.798608D+00  0.572942D+01
      3   0.522031D+01  0.501539D+01 -0.176922D+01  0.368566D+01  0.181110D+02
               141           142           143           144           145 
      1  -0.689814D+01 -0.553772D+00 -0.506487D+01  0.725273D+01  0.244678D+00
      2  -0.512158D+01 -0.190224D+01 -0.556647D+01  0.620595D+01  0.717900D+01
      3  -0.731790D+01 -0.185550D+01 -0.112976D+02  0.838834D+01 -0.731943D+01
               146           147           148           149           150 
      1  -0.166021D+01  0.181964D+01 -0.127302D+01  0.707300D+00 -0.126246D+01
      2  -0.508432D+00  0.524667D+01 -0.975481D+00  0.188877D+01 -0.406676D+00
      3  -0.573056D+01  0.528793D-01 -0.183910D+01  0.598556D+00 -0.127532D+01
               151           152           153           154           155 
      1   0.141528D+01 -0.503627D+00 -0.465845D+00  0.333337D+01  0.167711D+01
      2   0.266928D+01 -0.165223D+01 -0.226126D+01 -0.930307D+01  0.106364D+00
      3   0.967243D+00 -0.119793D+01  0.611410D+00 -0.585614D+01 -0.246346D+02
               156           157           158           159           160 
      1  -0.416501D+01  0.842151D+01  0.244392D+01  0.826180D+00 -0.198719D+01
      2   0.226637D+02  0.220619D+01 -0.130288D+01  0.389999D+01  0.939588D+01
      3  -0.112366D+01 -0.151980D+02 -0.107014D+02 -0.175715D+01 -0.364292D+00
               161           162           163           164           165 
      1   0.333250D+01 -0.148662D+00  0.390150D+01  0.170141D+01  0.902542D+00
      2   0.320816D+01  0.228245D+01 -0.713789D+01 -0.258011D+01  0.128059D+01
      3  -0.308467D+01 -0.205492D+01 -0.305505D+01 -0.351815D+01  0.374926D+00
               166           167           168           169           170 
      1   0.368609D+01 -0.196803D+00  0.445182D+01  0.216357D+01  0.735263D+01
      2  -0.235648D+01  0.556508D+01  0.236012D+00 -0.999972D+01  0.670954D+00
      3   0.253436D+01  0.539808D+00 -0.519317D+01  0.933792D+00 -0.237582D+01
               171           172           173           174           175 
      1  -0.159011D+01 -0.443079D+01 -0.158078D+01 -0.157581D+01 -0.458119D+01
      2   0.210416D+02  0.188341D+02  0.128810D+01 -0.455838D+01  0.299987D+01
      3   0.176394D+00  0.250680D+01  0.163369D+01  0.187401D+00  0.451719D+01
               176           177           178           179           180 
      1   0.617492D-01 -0.255910D+01 -0.154205D+01 -0.863326D+00 -0.604624D+00
      2   0.180960D+01 -0.802030D+00 -0.357016D+00  0.430441D+00  0.110997D+01
      3  -0.112607D+00 -0.754975D+00  0.387272D+00  0.969186D+00  0.229394D+00
               181           182           183           184           185 
      1  -0.413617D+00  0.370301D+01 -0.490382D+01 -0.249702D+01 -0.333292D-01
      2   0.345848D+00  0.199554D+01  0.659091D+01 -0.580515D+01  0.197395D+01
      3   0.159976D+02  0.429371D+01 -0.209544D+01 -0.140378D+02  0.703850D+01
               186           187           188           189           190 
      1  -0.109681D+01 -0.110743D+02  0.663275D+01  0.210219D+01  0.210244D+01
      2   0.300050D+01 -0.423534D+01  0.952097D+01 -0.312250D+01 -0.133257D+02
      3   0.411592D+00  0.113923D+01 -0.323141D+01  0.539178D+00  0.428655D+01
               191           192           193           194           195 
      1   0.683478D+01  0.882526D+00  0.572400D+01  0.572175D+01  0.215743D+01
      2  -0.635316D+00  0.865841D+00  0.287675D+01 -0.213439D+01 -0.624297D+00
      3   0.190242D+02 -0.283961D+01  0.375851D+02  0.430233D+01 -0.469017D+01
               196           197           198           199           200 
      1  -0.458879D+00  0.110751D+02 -0.190408D+01  0.503159D+00 -0.632027D+01
      2   0.334292D+01 -0.369577D+01 -0.210957D+01  0.145501D+02 -0.131913D+01
      3  -0.469612D+01 -0.418274D+01 -0.126162D+01  0.177903D+02 -0.360046D+02
               201           202           203           204           205 
      1  -0.274989D-01 -0.460773D+00 -0.310233D+01 -0.271810D+01  0.607067D+01
      2   0.180606D+01  0.338635D+01 -0.151124D+01 -0.388734D+01 -0.209281D+02
      3   0.265163D+01  0.239588D+01 -0.102438D+02  0.238931D+01 -0.244873D+00
               206           207           208           209           210 
      1   0.318201D+01 -0.103791D+01 -0.175108D+01 -0.612332D+01 -0.106630D+01
      2  -0.154616D+02  0.459163D+01  0.461196D+01 -0.133164D+01  0.133771D+02
      3   0.771194D+01  0.768640D+01 -0.159088D+01 -0.379015D+02  0.314179D+01
               211           212           213           214           215 
      1  -0.342074D-01  0.476749D+00 -0.455228D+01 -0.196568D+01 -0.694880D+00
      2  -0.794117D+00  0.711155D+00  0.474846D+01 -0.564758D+01 -0.156984D+01
      3  -0.105780D+01  0.124439D+02 -0.104400D+01  0.152232D+01  0.393341D+01
               216           217           218           219           220 
      1   0.115750D+01 -0.117538D+01  0.246029D+01  0.115824D+01  0.376553D+01
      2  -0.106853D+01 -0.587080D+01 -0.382839D+01 -0.104289D+01 -0.489110D+01
      3   0.268958D+01 -0.303844D+02  0.109947D+02  0.605787D+01  0.258257D+02
               221           222           223           224           225 
      1   0.324637D+01  0.364334D+01  0.947904D+01  0.627917D+01 -0.109013D+00
      2  -0.383792D+01 -0.357614D+02 -0.166078D+02 -0.267665D+02  0.125916D+02
      3   0.215124D+02  0.160751D+01  0.571805D+01  0.172827D+01  0.275180D+02
               226           227           228           229           230 
      1  -0.340780D+00  0.433857D+00  0.122373D+01 -0.199993D+00  0.293852D+00
      2  -0.536442D+00  0.166233D+00  0.230873D+00  0.553817D+00 -0.184159D+01
      3  -0.732498D+01  0.556140D+01  0.148228D+00  0.550885D+01 -0.199197D+02
               231           232           233           234           235 
      1  -0.445215D+01 -0.506176D+00  0.218321D+01  0.244999D+00  0.145924D+01
      2   0.832531D+00  0.780099D-01  0.817592D-01 -0.876181D-01 -0.178146D+01
      3   0.164033D+01  0.402272D+00  0.107977D+01 -0.336712D-01  0.364957D+01
               236           237           238           239           240 
      1   0.154290D+00 -0.189918D+01  0.644811D+00 -0.810033D-01 -0.268080D+01
      2  -0.122245D+01  0.221560D+01 -0.199967D+01 -0.222866D+01  0.362844D+01
      3  -0.450495D+01 -0.118584D+00 -0.496555D+01 -0.114392D+02  0.152975D+01
               241           242           243           244           245 
      1   0.196333D+01  0.876455D+00  0.797591D-01 -0.224873D+00  0.585666D+00
      2  -0.238131D+01  0.778169D+00 -0.473424D+00 -0.357755D-01  0.615554D+00
      3  -0.826902D-01  0.154473D+01 -0.140879D+01  0.356477D+01 -0.326172D+01
               246           247           248           249           250 
      1   0.119780D+01  0.395690D+00 -0.491419D+00 -0.383054D+01  0.197478D+00
      2   0.122054D+01  0.213298D+00  0.519962D+00 -0.335194D+01 -0.156137D+01
      3  -0.250060D+00 -0.232869D+01  0.198693D+02 -0.115036D+01 -0.131711D+00
               251           252           253           254           255 
      1   0.158993D+01  0.507693D-01 -0.743842D+00  0.250903D+00  0.874467D+00
      2  -0.111527D+00  0.345661D+00 -0.692853D+01  0.657066D+00 -0.244530D+01
      3  -0.188519D+01  0.261264D+00 -0.159239D+01  0.103977D+01 -0.113108D+01
               256           257           258           259           260 
      1  -0.331247D+00 -0.121936D+01 -0.159238D+01 -0.132593D+01  0.193195D+01
      2  -0.362029D+01 -0.104731D+02  0.163662D+02  0.110412D+02  0.158880D+02
      3  -0.743504D+01 -0.165835D+02  0.120667D+02  0.501487D+01  0.128086D+02
               261           262           263           264           265 
      1   0.322618D+01 -0.362746D+00 -0.345276D+00 -0.229937D+00 -0.202804D+01
      2  -0.354940D+02  0.924020D+01  0.304953D+01  0.168884D+01  0.670810D+01
      3  -0.174197D+02 -0.508746D+01 -0.273126D+01 -0.224117D+01 -0.127356D+02
               266           267           268           269           270 
      1  -0.253776D+01 -0.404001D+01 -0.305835D+01 -0.100491D+01 -0.479080D+01
      2   0.117969D+02  0.157284D+02  0.108926D+02  0.152939D+02  0.211207D+02
      3  -0.245573D+02 -0.121027D+02 -0.829990D+01 -0.154866D+02 -0.152959D+02
               271           272           273           274           275 
      1   0.168195D+01 -0.105950D+01  0.269046D-01 -0.135660D+01  0.872534D+00
      2   0.145665D+00  0.417654D+00  0.827265D+01  0.911697D+00  0.372469D+00
      3   0.220588D+02 -0.125904D+02 -0.207040D+01 -0.155588D+02  0.125558D+02
               276           277           278           279 
      1  -0.857087D+00 -0.111934D+01  0.365442D+00  0.191164D+00
      2  -0.272494D+01  0.906098D+01  0.186421D-01 -0.224813D+01
      3   0.808264D+00 -0.202611D+01  0.172207D+00  0.349365D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.930761D+02 -0.479065D+02  0.118435D+02  0.877038D+02 -0.626140D+01
      2   0.532980D+02  0.294331D+02 -0.840882D+01 -0.433473D+02  0.921322D+01
      3   0.397781D+02  0.184734D+02 -0.343468D+01 -0.443565D+02 -0.295182D+01
      4  -0.432919D+02  0.392837D+01  0.249130D+01 -0.486494D+01  0.864045D+01
      5   0.127940D+02  0.209443D+01 -0.250384D+01  0.248663D+01  0.183478D+01
      6   0.549306D+00 -0.504419D+01  0.551959D+00  0.357842D+01  0.186674D+01
                 6             7             8             9            10 
      1  -0.931278D+01  0.206552D+01  0.505129D+01 -0.116662D+02  0.760759D+02
      2   0.328957D+01 -0.319183D+01 -0.425417D+01 -0.273994D+00 -0.297493D+02
      3   0.602321D+01  0.112631D+01 -0.797120D+00  0.119402D+02 -0.463266D+02
      4  -0.149838D+00  0.504289D+01 -0.393193D+00 -0.207268D+00  0.208082D+01
      5  -0.113111D+01 -0.180270D+01  0.163264D+01  0.310851D+01 -0.917514D+01
      6  -0.101870D+01 -0.281950D+01  0.272474D+01  0.208015D+01  0.298390D+00
                11            12            13            14            15 
      1  -0.128812D+02 -0.755614D+01 -0.104122D+03 -0.292072D+02  0.119194D+02
      2   0.101755D+02  0.936255D+00  0.487540D+02  0.235291D+02 -0.792327D+01
      3   0.270565D+01  0.661988D+01  0.553677D+02  0.567801D+01 -0.399609D+01
      4   0.502463D+01 -0.184319D+01 -0.203705D+02 -0.144859D+02  0.250263D+01
      5  -0.550125D+00 -0.653283D+01  0.304214D+00  0.269901D-01 -0.954493D-01
      6  -0.108804D+01 -0.619322D+00 -0.125308D+01 -0.534663D+01 -0.530926D+00
                16            17            18            19            20 
      1   0.660675D+00  0.353512D+01 -0.860828D+01  0.591980D+02  0.521043D+02
      2  -0.271228D+01 -0.265717D+01 -0.143176D+01 -0.355027D+02 -0.366997D+02
      3   0.205160D+01 -0.877947D+00  0.100400D+02 -0.236954D+02 -0.154046D+02
      4   0.194647D+01  0.131604D+01 -0.221489D+01  0.403223D+02 -0.747599D+01
      5   0.163753D+01 -0.181648D+01  0.348998D+01 -0.938166D+01 -0.383515D+01
      6  -0.140641D+01  0.432218D+01  0.336358D+00 -0.127051D+00  0.107956D+02
                21            22            23            24            25 
      1  -0.149396D+02 -0.111242D+02  0.217861D+02 -0.671849D+01 -0.658396D+01
      2   0.862835D+01  0.162644D+02 -0.261258D+02  0.351323D+01  0.206975D+00
      3   0.631125D+01 -0.514027D+01  0.433968D+01  0.320526D+01  0.637699D+01
      4  -0.332743D+01  0.157090D+02  0.110957D+01 -0.129414D+01 -0.109711D+02
      5  -0.165802D+01 -0.384111D+01 -0.121441D+01 -0.500539D+01  0.669027D+01
      6  -0.814988D+00 -0.284177D+01  0.804503D+01  0.423238D+01  0.532198D+00
                26            27            28            29            30 
      1  -0.165509D+02 -0.604974D+01  0.114503D+02 -0.119208D+01  0.780973D+01
      2   0.985525D+01 -0.494949D+01 -0.186666D+02  0.400499D+01 -0.337325D+01
      3   0.669567D+01  0.109992D+02  0.721631D+01 -0.281292D+01 -0.443648D+01
      4  -0.956369D+00 -0.317378D+01 -0.836976D+01  0.996489D+01 -0.136331D+01
      5  -0.794024D+01  0.414165D+01  0.772411D+01 -0.179514D+01  0.728271D+01
      6   0.869564D+01  0.327570D+01  0.182944D+01 -0.461813D+01  0.129846D+01
                31            32            33            34            35 
      1  -0.336673D+02 -0.670536D+02  0.963673D+01  0.135118D+02  0.104261D+02
      2   0.273999D+02  0.571888D+02 -0.106109D+02 -0.114483D+01 -0.785276D+01
      3   0.626741D+01  0.986481D+01  0.974121D+00 -0.123670D+02 -0.257333D+01
      4  -0.386296D+02  0.620553D+01 -0.137856D+01  0.855187D+01 -0.329075D+01
      5   0.873765D+01  0.143185D+01 -0.166728D+00  0.240270D+02  0.465323D+01
      6   0.125562D+01 -0.167811D+02 -0.926858D+00 -0.515303D+00  0.578816D+01
                36            37            38            39            40 
      1  -0.634117D+01 -0.112918D+02 -0.630670D+02  0.102490D+02  0.294069D+02
      2  -0.675965D+01  0.492117D+01  0.487656D+02 -0.428890D+01 -0.287583D+02
      3   0.131008D+02  0.637066D+01  0.143015D+02 -0.596013D+01 -0.648607D+00
      4  -0.653280D+00 -0.119114D+02 -0.753676D+01  0.464826D+01  0.138158D+02
      5  -0.181391D+01 -0.925649D+00  0.863505D+01  0.379064D+01  0.900425D+00
      6   0.852462D+00  0.625974D+01 -0.917226D+01  0.876598D+01  0.389176D+01
                41            42            43            44            45 
      1   0.423231D+02 -0.620055D+01  0.554047D+01  0.644334D+01 -0.150343D+02
      2  -0.382184D+02  0.714349D+01  0.692925D+01  0.112151D+00 -0.951698D+00
      3  -0.410470D+01 -0.942943D+00 -0.124697D+02 -0.655549D+01  0.159860D+02
      4  -0.168506D+02  0.336453D+01  0.907739D+01  0.490614D+01  0.775969D+01
      5   0.695816D+00  0.479298D+01  0.151563D+02  0.429522D+01 -0.553189D+01
      6   0.131941D+02 -0.613782D+00  0.179449D+02  0.920964D+01 -0.741364D+01
                46            47            48            49            50 
      1   0.219328D+02  0.490078D+02 -0.123763D+02 -0.965015D+01  0.657331D+01
      2  -0.158862D+02 -0.357488D+02  0.541629D+01  0.827148D+01 -0.155567D+02
      3  -0.604661D+01 -0.132590D+02  0.696006D+01  0.137866D+01  0.898335D+01
      4   0.426496D+01 -0.878747D+01  0.235626D+00  0.728647D+01  0.109266D+02
      5   0.910649D+01 -0.192334D+01 -0.748281D+00  0.146887D+01 -0.140654D+01
      6  -0.169032D+01  0.124860D+02 -0.844516D+01 -0.258663D+01  0.497658D+01
                51            52            53            54            55 
      1  -0.143608D+01 -0.403899D+01 -0.684855D+01 -0.206907D+02  0.135937D+02
      2   0.462468D+01  0.464386D+00  0.138403D+02  0.981552D+01 -0.157690D+02
      3  -0.318861D+01  0.357460D+01 -0.699179D+01  0.108752D+02  0.217531D+01
      4  -0.196864D+01 -0.172418D+01  0.246357D+01 -0.382192D+01  0.341611D+02
      5  -0.655970D-01  0.350175D+01 -0.269146D+00  0.416789D+01 -0.114919D+02
      6   0.703598D+01 -0.599484D+01  0.206751D+02 -0.395260D+01 -0.209141D+01
                56            57            58            59            60 
      1   0.535344D+02 -0.982333D+01  0.391061D+01  0.253386D+02 -0.425990D+01
      2  -0.343999D+02  0.507681D+01  0.446486D+00 -0.256172D+02  0.390380D+01
      3  -0.191346D+02  0.474653D+01 -0.435710D+01  0.278537D+00  0.356099D+00
      4  -0.354834D+02 -0.248512D+00  0.291481D+02  0.133957D+02 -0.168800D+01
      5  -0.775110D+00 -0.785201D+01 -0.431856D+01 -0.618592D+00  0.558895D+01
      6   0.477115D+01 -0.662274D+01 -0.173096D+01  0.510117D+01  0.622986D+01
                61            62            63            64            65 
      1  -0.347743D+01 -0.974717D+01 -0.182686D+02  0.132102D+01 -0.231010D+00
      2   0.252364D+01  0.101313D+02  0.654583D+01  0.171193D+01 -0.129641D+01
      3   0.953792D+00 -0.384097D+00  0.117228D+02 -0.303295D+01  0.152742D+01
      4  -0.532690D+01  0.767600D+01  0.106063D+02 -0.703620D+01  0.912702D+01
      5   0.280210D+01  0.125763D+02  0.109569D+01 -0.236043D+01  0.164084D+01
      6  -0.882589D+00  0.197551D+02  0.459523D-01  0.193271D+01 -0.152826D+01
                66            67            68            69            70 
      1  -0.581799D+00  0.388819D+01 -0.211005D+02 -0.534496D-01 -0.241424D+01
      2   0.276400D+00 -0.733344D+01  0.270583D+02 -0.162758D-01  0.178491D+01
      3   0.305399D+00  0.344525D+01 -0.595781D+01  0.697254D-01  0.629329D+00
      4   0.602984D+00  0.122194D+02 -0.176829D+02 -0.242006D+00  0.297105D+00
      5   0.887053D+00  0.159003D+01 -0.367892D+00 -0.211157D+01  0.677090D+00
      6  -0.631835D+00 -0.226116D+01  0.426122D+01  0.496564D+01 -0.206206D+01
                71            72            73            74            75 
      1   0.228601D+01 -0.278686D+01  0.514261D+01 -0.352776D+01  0.134645D+01
      2  -0.211594D+01  0.320269D+01  0.467034D+01  0.107347D+02 -0.106136D+01
      3  -0.170072D+00 -0.415828D+00 -0.981295D+01 -0.720693D+01 -0.285096D+00
      4   0.713504D+00 -0.838884D+00  0.279198D+02  0.232926D+02 -0.514429D+01
      5   0.213825D+00 -0.143715D+00 -0.866301D+01 -0.535608D+01  0.536304D+01
      6   0.222610D+01 -0.353938D+00 -0.739662D+01 -0.676086D+01  0.478371D+01
                76            77            78            79            80 
      1  -0.774164D+01 -0.147891D+02  0.417430D+01 -0.210005D+00  0.251215D+01
      2   0.164915D+02  0.252936D+02 -0.376704D+01 -0.240169D+01 -0.288547D+01
      3  -0.874982D+01 -0.105045D+02 -0.407264D+00  0.261170D+01  0.373321D+00
      4   0.269096D+02  0.305151D+02 -0.581488D+01 -0.632108D+01 -0.534930D+01
      5  -0.583069D+01 -0.625195D+01  0.463861D+01  0.229506D+01  0.377842D+01
      6  -0.873700D+01 -0.107634D+02  0.729922D+01  0.110438D+01  0.484995D+01
                81            82            83            84            85 
      1  -0.739481D+00 -0.530873D+01  0.922980D+01 -0.452252D+00  0.622622D+01
      2   0.161028D+01  0.810429D+01 -0.131363D+02  0.494850D+00 -0.785925D+01
      3  -0.870804D+00 -0.279556D+01  0.390647D+01 -0.425972D-01  0.163303D+01
      4   0.414096D+01 -0.526506D+01  0.130948D+02 -0.124835D+01  0.776825D+01
      5  -0.212948D+01  0.162438D+01 -0.260374D+01  0.204311D+01 -0.151994D+01
      6  -0.260535D+01 -0.178141D+01  0.205056D+01 -0.212603D+01  0.210875D+01
                86            87            88            89            90 
      1  -0.537135D+02  0.590330D+01 -0.267255D+00  0.420807D+01 -0.296006D+01
      2   0.717932D+02 -0.542675D+01  0.734046D+00 -0.471749D+01  0.350146D+01
      3  -0.180797D+02 -0.476554D+00 -0.466790D+00  0.509416D+00 -0.541401D+00
      4  -0.145927D+02  0.162312D+01 -0.850922D+00 -0.186831D+00 -0.179998D+01
      5   0.469894D+01 -0.165424D+01  0.112778D+01 -0.179446D+01  0.228082D+00
      6  -0.137899D+02  0.946602D+01  0.631141D+00  0.556576D+01 -0.187297D+01
                91            92            93            94            95 
      1  -0.312043D+02 -0.181181D+02 -0.110311D+02 -0.116713D+02 -0.370326D+00
      2   0.258985D+02  0.152505D+02  0.568420D+01  0.115605D+02  0.726243D+00
      3   0.530575D+01  0.286756D+01  0.534694D+01  0.110772D+00 -0.355918D+00
      4  -0.135853D+02 -0.110969D+02  0.134417D+01 -0.210159D+02  0.121891D+02
      5  -0.150868D+02  0.128494D+01 -0.238717D+02  0.543843D+01  0.269108D+02
      6   0.216529D+01  0.434002D+01 -0.153606D-01  0.715061D+01 -0.367219D+01
                96            97            98            99           100 
      1   0.800003D+01 -0.276462D+02 -0.512457D+00 -0.191693D+02 -0.599429D+02
      2  -0.975791D+01  0.190718D+02 -0.417060D+01  0.133476D+02  0.329642D+02
      3   0.175789D+01  0.857440D+01  0.468306D+01  0.582177D+01  0.269787D+02
      4   0.266291D+02  0.584891D+00  0.211329D+02 -0.913427D+01  0.287793D+02
      5  -0.427913D+01 -0.412146D+02 -0.112556D+02  0.227918D+00  0.291640D+02
      6  -0.904843D+01 -0.402569D+01 -0.338319D+01  0.618393D+01 -0.689182D+01
               101           102           103           104           105 
      1   0.258226D+02  0.266455D+02  0.830924D+01  0.577953D+01 -0.547250D+01
      2  -0.185129D+02 -0.577654D+01 -0.922223D+01 -0.558475D+01  0.190683D+02
      3  -0.730966D+01 -0.208689D+02  0.912983D+00 -0.194780D+00 -0.135958D+02
      4   0.988170D+01 -0.102429D+01  0.166879D+02 -0.155128D+02 -0.259270D+02
      5  -0.444389D+00  0.195931D+02  0.173296D+01 -0.274004D+02  0.597959D+01
      6  -0.377402D+01 -0.120447D+02 -0.705927D+01  0.136604D+02 -0.101664D+01
               106           107           108           109           110 
      1   0.185316D+02  0.403567D+00  0.370458D+02 -0.903745D+02 -0.127453D+02
      2  -0.668658D+01  0.149341D+02 -0.150001D+02  0.353249D+02  0.468821D+00
      3  -0.118450D+02 -0.153377D+02 -0.220457D+02  0.550496D+02  0.122765D+02
      4   0.213707D+01 -0.175158D+02  0.880360D+01 -0.231418D+02 -0.225645D+02
      5   0.144750D+02  0.147917D+02  0.128969D+02 -0.143306D+02 -0.653892D+01
      6  -0.800016D+01 -0.650117D+01 -0.144072D+02 -0.229933D+01 -0.237186D+01
               111           112           113           114           115 
      1  -0.674381D+01 -0.108134D+02 -0.824831D+01 -0.412269D+01  0.323367D+02
      2   0.152608D+01  0.107417D+01  0.657752D+01  0.976431D+00 -0.255445D+02
      3   0.521773D+01  0.973925D+01  0.167079D+01  0.314626D+01 -0.679220D+01
      4  -0.477562D+01  0.849343D+01 -0.856105D+01 -0.173177D+01 -0.347653D+01
      5  -0.108065D+02 -0.448807D+01 -0.285252D+01 -0.446334D+00  0.299069D+02
      6  -0.189931D+01 -0.431445D+01 -0.424189D+00  0.261165D+01  0.646748D+01
               116           117           118           119           120 
      1   0.947826D-01  0.228796D+02  0.161989D+02  0.951131D+01 -0.625089D+01
      2  -0.186378D+01 -0.707238D+01 -0.123157D+02 -0.679037D+01  0.568726D+01
      3   0.176900D+01 -0.158072D+02 -0.388313D+01 -0.272094D+01  0.563637D+00
      4  -0.229888D+01  0.234790D+01  0.156859D+02  0.117532D+02 -0.522358D+01
      5   0.352340D+01  0.483650D+01 -0.160089D+02 -0.635766D+01  0.168688D+02
      6  -0.226424D+01 -0.897786D+00 -0.566439D+01 -0.311482D+01  0.301497D+01
               121           122           123           124           125 
      1   0.181539D+02  0.221516D+01 -0.102464D+01 -0.780428D+01 -0.298035D+00
      2  -0.117894D+02 -0.153401D+01  0.339060D+01  0.868978D+01  0.439173D+01
      3  -0.636448D+01 -0.681144D+00 -0.236596D+01 -0.885502D+00 -0.409370D+01
      4   0.146857D+02  0.197294D+02 -0.155534D+02 -0.677618D+01 -0.150624D+02
      5  -0.114499D+02 -0.162947D+02  0.141204D+02  0.237725D+02  0.134087D+02
      6  -0.485362D+01 -0.891813D+01  0.887747D+01  0.467566D+01  0.763792D+01
               126           127           128           129           130 
      1   0.203072D+01 -0.711970D+01 -0.959780D+01 -0.207279D+02 -0.191429D+01
      2  -0.109560D+02  0.238315D+00  0.624417D+01  0.438476D+01  0.136199D+01
      3   0.892533D+01  0.688139D+01  0.335364D+01  0.163432D+02  0.552304D+00
      4   0.131345D+02  0.431611D+00 -0.498777D+01 -0.286632D+00 -0.548672D+00
      5  -0.276091D+02 -0.503279D+01 -0.323551D+01 -0.841099D+01  0.549464D+00
      6  -0.829469D+01  0.450150D+01  0.568945D+01  0.102699D+02  0.145993D+01
               131           132           133           134           135 
      1  -0.111660D+02 -0.898422D+01 -0.126119D+02 -0.121795D+02 -0.386851D+02
      2   0.616190D+01  0.384231D+01  0.419604D+01  0.329497D+01 -0.196662D+01
      3   0.500411D+01  0.514190D+01  0.841589D+01  0.888454D+01  0.406517D+02
      4  -0.416181D+01 -0.476428D+01  0.664363D+01 -0.101222D+02 -0.110888D+02
      5  -0.448104D+01 -0.721366D+01  0.412643D+01 -0.151564D+02 -0.405962D+02
      6   0.729746D+01  0.120344D+02  0.921668D+00  0.151386D+02  0.290001D+02
               136           137           138           139           140 
      1   0.342463D+00 -0.981954D+01  0.150053D+01 -0.732205D+01 -0.174764D+02
      2   0.296484D+01  0.896708D+01 -0.314285D+01  0.279140D+01  0.313961D+02
      3  -0.330730D+01  0.852462D+00  0.164232D+01  0.453065D+01 -0.139197D+02
      4  -0.405837D+01 -0.253831D+01 -0.918582D+00  0.717359D+01 -0.279342D+02
      5   0.205454D+01  0.120162D+01 -0.444396D+01  0.113069D+01  0.122631D+02
      6  -0.144302D+01  0.567570D+00  0.335713D+01  0.972266D-01 -0.349356D+01
               141           142           143           144           145 
      1   0.572190D+01  0.518207D+01  0.677409D+01 -0.104687D+02  0.947694D+02
      2  -0.124586D+02 -0.212570D+01 -0.160612D+02  0.112246D+02 -0.480611D+02
      3   0.673674D+01 -0.305637D+01  0.928708D+01 -0.755930D+00 -0.467083D+02
      4   0.101627D+02 -0.767620D+01  0.198757D+02 -0.851111D+01 -0.504771D+02
      5  -0.105525D+02 -0.206492D+01 -0.105331D+02  0.141857D+02 -0.382976D+02
      6   0.713712D+01  0.144443D+01  0.603411D+01 -0.745256D+01  0.100844D+02
               146           147           148           149           150 
      1  -0.182881D+02 -0.139083D+02 -0.896633D+01  0.973281D+01  0.165999D+01
      2   0.536687D+01  0.944764D+01  0.510597D+00 -0.228694D+01 -0.153499D+01
      3   0.129212D+02  0.446064D+01  0.845573D+01 -0.744588D+01 -0.124992D+00
      4   0.239799D+02  0.100330D+02  0.180758D+02 -0.887742D+01 -0.119640D+01
      5   0.101147D+02  0.184529D+02  0.361958D+01 -0.269193D+01 -0.188682D+01
      6  -0.569987D+01 -0.559936D+01 -0.423543D+01  0.106359D+01  0.238275D+01
               151           152           153           154           155 
      1  -0.932475D+01  0.177531D+01  0.640661D+01  0.200363D+03  0.252690D+02
      2   0.774429D+01 -0.300615D+01 -0.572017D+01 -0.937807D+02 -0.853449D+01
      3   0.158046D+01  0.123084D+01 -0.686443D+00 -0.106582D+03 -0.167345D+02
      4   0.514676D+01 -0.518932D+00 -0.670870D+01  0.352551D+02  0.423617D+02
      5   0.173878D+02 -0.575671D+01 -0.103238D+02  0.383566D+02  0.771033D+01
      6  -0.479813D+01  0.323667D+01  0.397028D+01  0.925737D+00  0.476898D+01
               156           157           158           159           160 
      1   0.104285D+02  0.231511D+02  0.336904D+02  0.390189D+00  0.128474D+02
      2  -0.107356D+02 -0.646744D+01 -0.108457D+02 -0.641026D+00 -0.117631D+02
      3   0.307137D+00 -0.166837D+02 -0.228447D+02  0.250838D+00 -0.108427D+01
      4   0.558081D+01  0.489544D+02  0.251582D+02  0.504462D+01  0.475477D+01
      5   0.399198D+02  0.471249D+01  0.867502D+01  0.574327D+01  0.405952D+02
      6   0.138818D+01  0.902839D+01  0.362647D+01  0.582781D+01  0.229685D+01
               161           162           163           164           165 
      1   0.124519D+01  0.237077D+02  0.498871D+02  0.539441D+01  0.177509D+02
      2  -0.116689D+01 -0.164472D+02 -0.344291D+02 -0.219762D+01 -0.106883D+02
      3  -0.783075D-01 -0.726050D+01 -0.154581D+02 -0.319679D+01 -0.706267D+01
      4   0.375735D+01  0.639787D+01  0.644706D+01  0.622622D+01 -0.101090D+01
      5   0.690072D+01  0.123305D+02  0.333453D+02 -0.431158D+00  0.194312D+02
      6   0.509414D+01  0.179519D+01  0.320916D+01  0.732554D+00  0.529216D+00
               166           167           168           169           170 
      1   0.950684D+01 -0.114013D+02 -0.214505D+00 -0.121200D+01 -0.179067D+01
      2  -0.556299D+01  0.395376D+01  0.606838D+00 -0.197716D+01  0.124794D+01
      3  -0.394386D+01  0.744749D+01 -0.392334D+00  0.318916D+01  0.542735D+00
      4   0.182730D+01 -0.251333D+01  0.874905D+01 -0.169252D+01  0.448837D+01
      5   0.349790D+01  0.779552D+01 -0.888131D+00  0.129076D+02  0.774933D-02
      6   0.160909D+01  0.198182D+00  0.116463D+02 -0.154744D+01  0.101453D+02
               171           172           173           174           175 
      1  -0.316805D+02 -0.491531D+02 -0.193677D+01  0.175170D+01 -0.760753D+01
      2  -0.109469D+02  0.307675D+02  0.131943D+01  0.697506D+01  0.543776D+01
      3   0.426275D+02  0.183856D+02  0.617336D+00 -0.872676D+01  0.216977D+01
      4  -0.109232D+01 -0.346653D+01 -0.372280D+01  0.272353D+00  0.383213D+00
      5   0.364421D+02 -0.260500D+02  0.434241D+00 -0.156783D+02 -0.267353D+01
      6  -0.893890D+00 -0.285156D+01 -0.290229D+01  0.669746D-01 -0.761783D+00
               176           177           178           179           180 
      1  -0.327770D+01  0.733495D+00 -0.145758D+02 -0.726157D+00 -0.849035D+01
      2   0.206940D+01  0.811577D+00  0.138155D+02  0.799655D+00  0.568431D+01
      3   0.120830D+01 -0.154507D+01  0.760287D+00 -0.734974D-01  0.280605D+01
      4  -0.987105D-01  0.228738D+01 -0.153191D+01 -0.634071D+00 -0.211272D+00
      5   0.217550D+01 -0.226616D+01 -0.142582D+02 -0.152861D-01 -0.574377D+01
      6  -0.950495D+00  0.236904D+01 -0.835576D+00  0.438860D+00 -0.840814D+00
               181           182           183           184           185 
      1  -0.232665D+01 -0.548742D+02  0.775743D+01  0.865120D+02  0.317058D+02
      2   0.475709D+01  0.383042D+02 -0.410468D+01 -0.607555D+02 -0.257504D+02
      3  -0.243044D+01  0.165700D+02 -0.365275D+01 -0.257565D+02 -0.595536D+01
      4  -0.261656D+02  0.392585D+02  0.344978D+01  0.252771D+02 -0.347135D+02
      5   0.116882D+02  0.422669D+01  0.120615D+02 -0.572041D+01  0.580955D+01
      6   0.489599D+01  0.335353D+00  0.775379D+01  0.423808D+01  0.480599D+01
               186           187           188           189           190 
      1  -0.100704D+02 -0.381775D+01  0.636719D+01  0.130141D+01  0.157469D+03
      2   0.803639D+01  0.701252D+01 -0.184268D+01 -0.873620D+01 -0.852878D+02
      3   0.203401D+01 -0.319478D+01 -0.452451D+01  0.743479D+01 -0.721814D+02
      4   0.377801D+01  0.744507D+01  0.356381D+01  0.156454D+02  0.752831D+01
      5   0.807236D+01  0.267907D+02  0.153865D+02 -0.673908D+01 -0.440251D+01
      6   0.232406D+01  0.153882D+02  0.830056D+01 -0.299966D+01  0.276293D+01
               191           192           193           194           195 
      1   0.258796D+02 -0.152981D+02 -0.304212D+02 -0.299100D+02  0.903845D+01
      2  -0.149036D+02  0.530137D+01  0.295841D+02  0.302901D+02 -0.939498D+01
      3  -0.109760D+02  0.999676D+01  0.837060D+00 -0.380130D+00  0.356531D+00
      4   0.305155D+02 -0.415715D+01 -0.256096D+02  0.606130D+02 -0.344848D+01
      5  -0.541060D+01  0.309708D+01  0.100492D+02 -0.617328D+01 -0.133474D+01
      6   0.216096D+01 -0.325393D+01  0.955467D+00 -0.380707D+01 -0.296985D+01
               196           197           198           199           200 
      1  -0.459105D+01  0.330688D+01  0.250105D+02 -0.114234D+03 -0.100460D+01
      2   0.137828D+01 -0.336336D+01 -0.223532D+02  0.492907D+02 -0.252802D+01
      3   0.321278D+01  0.564761D-01 -0.265738D+01  0.649435D+02  0.353263D+01
      4   0.658659D+01 -0.915631D+01  0.152537D+00 -0.445484D+01 -0.355882D+02
      5   0.488953D+02  0.558517D+01 -0.564121D+01  0.108408D+02  0.164797D+01
      6  -0.224350D+01  0.323953D+01  0.309182D+01 -0.276735D+01  0.286106D+01
               201           202           203           204           205 
      1   0.888782D+01 -0.808504D+02 -0.585947D+01  0.553941D+01  0.204668D+02
      2  -0.345937D+01  0.506653D+02 -0.920245D+01 -0.182719D+01 -0.113093D+02
      3  -0.542845D+01  0.301851D+02  0.150619D+02 -0.371223D+01 -0.915750D+01
      4   0.163251D+01 -0.291911D+01 -0.176391D+02 -0.700992D+00 -0.210658D+01
      5   0.394947D+01  0.557118D+01  0.452957D+00 -0.880952D+01  0.149469D+01
      6   0.406872D+00 -0.363148D+01  0.369729D+01  0.529684D+01 -0.243110D+01
               206           207           208           209           210 
      1  -0.494557D+01 -0.195250D+02 -0.202963D+02 -0.303419D+02  0.100221D+02
      2   0.666940D+01  0.367184D+01  0.955573D+01  0.168836D+02 -0.168316D+01
      3  -0.172383D+01  0.158532D+02  0.107406D+02  0.134583D+02 -0.833895D+01
      4   0.294743D+01 -0.224359D+02 -0.252781D+02  0.851541D+01  0.441087D+01
      5  -0.243506D+02  0.920639D+01  0.446879D+01  0.447993D+01  0.253218D+02
      6   0.154849D+02 -0.568248D+00  0.731219D+00 -0.242180D+01  0.352473D+01
               211           212           213           214           215 
      1   0.110424D+00  0.108422D+02  0.817403D+00  0.521357D+01  0.142790D+01
      2  -0.444172D+01 -0.296376D+01  0.175991D+01 -0.167660D+01 -0.602100D+00
      3   0.433130D+01 -0.787844D+01 -0.257731D+01 -0.353697D+01 -0.825800D+00
      4   0.337128D+02 -0.187148D+02 -0.470975D+00 -0.689811D+00  0.886170D-01
      5  -0.150063D+00  0.159091D+01  0.763457D+01  0.876539D+01 -0.650999D+01
      6  -0.769788D+00  0.218459D+01  0.720761D+01 -0.345671D+01  0.430191D+01
               216           217           218           219           220 
      1  -0.129020D+01 -0.581998D+02  0.471813D+02 -0.242950D+00  0.544681D+02
      2  -0.223938D+00  0.323994D+02 -0.253869D+02 -0.139805D+01 -0.273225D+02
      3   0.151414D+01  0.258004D+02 -0.217944D+02  0.164100D+01 -0.271456D+02
      4  -0.733003D+01  0.462372D+02 -0.479777D+01 -0.123080D+02 -0.333944D+02
      5  -0.365431D+01  0.465594D+00 -0.130679D+02 -0.827016D+01 -0.150648D+02
      6  -0.758281D+00 -0.536036D+01 -0.650502D+00 -0.130297D+01 -0.681322D+00
               221           222           223           224           225 
      1  -0.114205D+02 -0.195481D+02 -0.278024D+01 -0.154820D+02  0.245745D+01
      2   0.489926D+01  0.183235D+01 -0.280248D+01  0.223933D+01  0.122678D+01
      3   0.652129D+01  0.177158D+02  0.558272D+01  0.132427D+02 -0.368423D+01
      4  -0.235676D+02 -0.879604D+01 -0.124960D+02 -0.904051D+01 -0.450043D+02
      5  -0.975510D+01 -0.675137D+02 -0.227935D+02 -0.466721D+02  0.204682D+02
      6  -0.107323D+01 -0.142619D+02 -0.859784D+01 -0.106992D+02  0.705218D+01
               226           227           228           229           230 
      1  -0.587819D+01  0.141735D+02 -0.596306D+00  0.554580D+01 -0.491792D+02
      2   0.678366D+01 -0.138615D+02  0.631301D+00 -0.486591D+01  0.613289D+02
      3  -0.905475D+00 -0.311986D+00 -0.349945D-01 -0.679895D+00 -0.121497D+02
      4   0.128411D+01  0.449635D+01 -0.740469D+00  0.302681D+01  0.198081D+02
      5   0.236180D+00 -0.105207D+01  0.985877D+00 -0.150858D+00  0.126167D+01
      6  -0.187467D+00 -0.979473D-01 -0.159049D+01  0.464694D+00 -0.277359D+01
               231           232           233           234           235 
      1   0.380376D+01  0.137836D+00  0.285234D+01 -0.252032D+01  0.379878D+02
      2  -0.369947D+01  0.317332D-01 -0.363487D+01  0.319092D+01 -0.134999D+02
      3  -0.104286D+00 -0.169569D+00  0.782522D+00 -0.670599D+00 -0.244879D+02
      4  -0.117757D+01 -0.401561D+00 -0.221370D+01 -0.848821D+00  0.335185D+02
      5   0.207226D+01  0.147915D+01 -0.307024D+00 -0.152291D+00 -0.749943D+01
      6   0.729858D+01 -0.729650D-02  0.380885D+01 -0.940397D+00 -0.313347D+01
               236           237           238           239           240 
      1   0.139740D+02 -0.507239D+01  0.188096D+02  0.768250D+01 -0.203766D+01
      2  -0.962248D+00  0.206422D+01  0.144010D+01  0.107008D+02 -0.445035D+00
      3  -0.130117D+02  0.300817D+01 -0.202497D+02 -0.183833D+02  0.248270D+01
      4   0.255066D+02 -0.531795D+01  0.385597D+02  0.403322D+02 -0.704134D+01
      5  -0.379079D+01  0.484451D+01 -0.615994D+01 -0.469050D+01  0.632701D+01
      6  -0.232586D+01  0.260050D+01 -0.396339D+01 -0.448423D+01  0.502323D+01
               241           242           243           244           245 
      1  -0.689978D+01 -0.226870D+01 -0.219496D+00  0.146183D+01 -0.667685D+01
      2   0.169415D+01 -0.601420D+00  0.106752D+01  0.448942D+01 -0.209451D+01
      3   0.520563D+01  0.287012D+01 -0.848021D+00 -0.595125D+01  0.877136D+01
      4  -0.822929D+01 -0.685555D+01  0.390766D+01 -0.198955D+02  0.208715D+02
      5   0.246139D+00  0.280652D+01 -0.171355D+01  0.257889D+01 -0.147249D+01
      6   0.375722D+00  0.242017D+01 -0.133984D+01 -0.916732D+00  0.169675D+00
               246           247           248           249           250 
      1   0.939727D+00 -0.287698D+01 -0.154524D+02  0.917173D+00  0.533767D+00
      2  -0.424100D+00 -0.855722D+01  0.329254D+02 -0.703015D+00 -0.132592D+00
      3  -0.515627D+00  0.114342D+02 -0.174730D+02 -0.214158D+00 -0.401176D+00
      4  -0.409820D+00  0.280967D+02 -0.536036D+02  0.274769D+01 -0.976068D+00
      5   0.276303D+01 -0.298883D+01  0.594092D+01 -0.649779D+01  0.256647D+01
      6  -0.171079D+01  0.149902D+01 -0.306379D+01  0.655096D+01 -0.293899D+01
               251           252           253           254           255 
      1   0.203503D+01 -0.135187D+01  0.126813D+01  0.257575D+01 -0.147308D+02
      2  -0.204225D+01  0.281155D+01 -0.228370D+01 -0.136335D+01  0.605315D+01
      3   0.722441D-02 -0.145968D+01  0.101556D+01 -0.121240D+01  0.867764D+01
      4   0.314519D+01 -0.269783D+01  0.105523D+01 -0.356247D+00 -0.185182D+01
      5  -0.168495D+01  0.735970D+00 -0.123065D+02 -0.121707D+01 -0.159462D+00
      6   0.342112D+01 -0.959278D+00 -0.231389D+01  0.380361D+00 -0.105093D+01
               256           257           258           259           260 
      1   0.953589D+01  0.261436D+01  0.789018D+00 -0.328518D+02 -0.645215D+00
      2  -0.553924D+01 -0.637011D+00  0.177917D+01  0.220850D+02  0.305889D+01
      3  -0.399665D+01 -0.197735D+01 -0.256819D+01  0.107668D+02 -0.241368D+01
      4   0.203026D+02  0.257167D+02 -0.208246D+02 -0.148410D+02 -0.201402D+02
      5  -0.126892D+02 -0.202710D+02  0.321720D+02  0.352770D+02  0.293713D+02
      6  -0.463530D+01 -0.843034D+01  0.115519D+02  0.762517D+01  0.106408D+02
               261           262           263           264           265 
      1   0.544940D+00  0.195805D+02  0.899194D+01  0.143173D+02  0.248699D+02
      2  -0.142684D+02 -0.854970D+01 -0.352257D+01 -0.692797D+01 -0.923108D+01
      3   0.137235D+02 -0.110308D+02 -0.546937D+01 -0.738937D+01 -0.156388D+02
      4   0.284552D+02  0.109270D+02  0.755036D+01  0.769401D+01  0.343841D+02
      5  -0.670665D+02  0.169671D+02  0.724111D+01  0.433513D+01  0.174871D+02
      6  -0.148097D+02  0.342149D+01  0.994568D+00  0.558506D-01  0.425575D+01
               266           267           268           269           270 
      1   0.140010D+02  0.811514D+01  0.422175D+02  0.117449D+02  0.882449D+01
      2   0.267073D+00 -0.126492D+00 -0.205523D+02 -0.283276D+01 -0.613944D+01
      3  -0.142680D+02 -0.798865D+01 -0.216652D+02 -0.891218D+01 -0.268505D+01
      4   0.424428D+02  0.235393D+02  0.243237D+02  0.274932D+02  0.279094D+02
      5   0.247284D+02  0.307188D+02  0.290532D+02  0.294374D+02  0.419749D+02
      6   0.642028D+01  0.808115D+01  0.704286D+01  0.816017D+01  0.834256D+01
               271           272           273           274           275 
      1   0.179601D+03 -0.332528D+02 -0.114914D+02 -0.699542D+02  0.276640D+02
      2  -0.939773D+02  0.174265D+02  0.717555D+01  0.361881D+02 -0.131736D+02
      3  -0.856240D+02  0.158262D+02  0.431584D+01  0.337661D+02 -0.144903D+02
      4  -0.366095D+02  0.204939D+02  0.356639D+01  0.342833D+02 -0.243812D+02
      5  -0.158320D+02  0.390752D+01  0.171459D+02  0.776916D+01 -0.182284D+01
      6   0.334887D+01 -0.153313D+01 -0.640340D+00 -0.270628D+01  0.213486D+01
               276           277           278           279 
      1   0.578827D+01 -0.785161D+01  0.299759D+01  0.182034D+02
      2  -0.322959D+01  0.594521D+01 -0.141212D+01 -0.108373D+02
      3  -0.255868D+01  0.190641D+01 -0.158547D+01 -0.736602D+01
      4  -0.168926D+01  0.354969D+01  0.167127D+00 -0.148774D+01
      5  -0.594227D+01  0.259078D+02 -0.141543D+01 -0.610812D+01
      6   0.213770D+01 -0.996310D+00  0.243872D+01  0.962061D-01
 Leave Link  716 at Thu Aug 12 23:24:14 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299428D+03  0.128912D+02 -0.154299D+02
      2   0.128912D+02  0.170907D+03 -0.523792D+01
      3  -0.154299D+02 -0.523792D+01  0.117201D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.922088D+01 -0.283990D+02  0.121123D+02
      2   0.753971D+02  0.156978D+02  0.135215D+02
      3   0.400591D+02  0.524363D+02 -0.197355D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.315707D+03 -0.378249D+02  0.852655D+02
      2   0.148999D+03  0.194703D+02 -0.424389D+02
      3   0.166708D+03  0.183545D+02 -0.428267D+02
      4  -0.496214D+02 -0.110250D+03  0.378491D+02
      5   0.175578D+02  0.417880D+02  0.360109D+02
      6   0.114594D+02 -0.680736D+02 -0.337374D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.396571D+02  0.844582D+01 -0.382478D+01 -0.447728D+02 -0.589073D+01
      2   0.844582D+01  0.502522D+01 -0.170163D+01 -0.589073D+01 -0.590662D+01
      3  -0.382478D+01 -0.170163D+01  0.547369D-01  0.499900D+01  0.102515D+01
                 6             7             8             9            10 
      1   0.499900D+01  0.101808D+01 -0.292473D+00  0.122054D+01 -0.319904D+02
      2   0.102515D+01 -0.292473D+00 -0.999756D-01 -0.792900D+00 -0.639740D+01
      3  -0.479156D+00  0.122054D+01 -0.792900D+00  0.146751D+00  0.286864D+01
                11            12            13            14            15 
      1  -0.639740D+01  0.286864D+01  0.495528D+02  0.728037D+01 -0.565398D+01
      2  -0.104911D+01  0.444382D+00  0.728037D+01  0.768071D+01 -0.169241D+01
      3   0.444382D+00 -0.400655D+00 -0.565398D+01 -0.169241D+01  0.496171D+00
                16            17            18            19            20 
      1  -0.139919D+01  0.404619D-01 -0.555573D+00 -0.451349D+02 -0.959784D+01
      2   0.404619D-01 -0.456190D+00  0.104693D+01 -0.959784D+01 -0.973321D+01
      3  -0.555573D+00  0.104693D+01 -0.325628D+00  0.385947D+01  0.169931D+01
                21            22            23            24            25 
      1   0.385947D+01 -0.165436D+02 -0.197241D+01  0.240692D+00  0.724517D+01
      2   0.169931D+01 -0.197241D+01 -0.570604D+01  0.558403D+00  0.220218D+00
      3  -0.597808D+00  0.240692D+00  0.558403D+00 -0.211644D+01  0.138233D+00
                26            27            28            29            30 
      1   0.220218D+00  0.138233D+00  0.463857D+02  0.492455D+01 -0.109541D+01
      2   0.112984D+01 -0.374848D+01  0.492455D+01  0.431251D+01 -0.616973D+00
      3  -0.374848D+01  0.481893D+00 -0.109541D+01 -0.616973D+00  0.212983D+01
                31            32            33            34            35 
      1   0.807100D+01  0.212545D+01 -0.261560D+00 -0.467976D+01 -0.869330D-01
      2   0.212545D+01  0.158796D+02 -0.276985D+01 -0.869330D-01 -0.280228D+01
      3  -0.261560D+00 -0.276985D+01  0.406701D+00  0.590820D+01  0.126831D+01
                36            37            38            39            40 
      1   0.590820D+01  0.921088D+01 -0.192528D+01 -0.106296D+00  0.544924D+01
      2   0.126831D+01 -0.192528D+01  0.123226D+02 -0.125098D+01  0.138088D+01
      3  -0.131689D+01 -0.106296D+00 -0.125098D+01  0.207671D+01  0.535239D+00
                41            42            43            44            45 
      1   0.138088D+01  0.535239D+00 -0.654110D+00  0.100990D+01  0.450382D+01
      2  -0.905316D+01  0.161567D+01  0.100990D+01 -0.279768D+00  0.191567D+01
      3   0.161567D+01  0.617325D+00  0.450382D+01  0.191567D+01 -0.234951D+01
                46            47            48            49            50 
      1  -0.149544D+02  0.169644D+01  0.153455D+01 -0.939736D-02  0.213470D+01
      2   0.169644D+01 -0.892940D+01  0.183487D+01  0.213470D+01 -0.165299D+00
      3   0.153455D+01  0.183487D+01 -0.188826D+01 -0.123989D+00  0.445296D+00
                51            52            53            54            55 
      1  -0.123989D+00  0.170841D+01  0.458687D-01 -0.146723D+01  0.457887D+01
      2   0.445296D+00  0.458687D-01  0.201153D+01  0.383108D+01 -0.317093D+01
      3   0.155062D+01 -0.146723D+01  0.383108D+01 -0.714958D+00 -0.221949D+00
                56            57            58            59            60 
      1  -0.317093D+01 -0.221949D+00 -0.188256D+01 -0.352975D+01  0.240194D+00
      2   0.497179D+01 -0.195353D+00 -0.352975D+01 -0.183399D+01  0.688567D-01
      3  -0.195353D+00  0.183642D+01  0.240194D+00  0.688567D-01 -0.153351D+01
                61            62            63            64            65 
      1  -0.390122D+00  0.307016D+00  0.331863D+00  0.118128D+01 -0.218863D+01
      2   0.307016D+00 -0.126593D+01 -0.378705D+01 -0.218863D+01  0.913917D+00
      3   0.331863D+00 -0.378705D+01  0.479791D+00 -0.115777D+00  0.262116D+00
                66            67            68            69            70 
      1  -0.115777D+00 -0.286260D+01  0.289495D+01  0.116871D+00 -0.272055D+00
      2   0.262116D+00  0.289495D+01 -0.649352D+01 -0.759483D-01  0.178819D+00
      3   0.750315D-01  0.116871D+00 -0.759483D-01 -0.777986D+00  0.677173D-02
                71            72            73            74            75 
      1   0.178819D+00  0.677173D-02  0.630025D+01  0.337467D+01 -0.106632D+01
      2   0.387279D+00 -0.155518D+00  0.337467D+01  0.333499D+01 -0.746517D+00
      3  -0.155518D+00 -0.134760D-01 -0.106632D+01 -0.746517D+00  0.733957D+00
                76            77            78            79            80 
      1   0.375223D+01  0.441476D+01 -0.953488D+00 -0.142270D+01 -0.929503D+00
      2   0.441476D+01  0.532887D+01 -0.109526D+01 -0.929503D+00 -0.899743D+00
      3  -0.953488D+00 -0.109526D+01  0.955491D+00 -0.541454D-01  0.620257D+00
                81            82            83            84            85 
      1  -0.541454D-01 -0.106779D+01  0.161052D+01 -0.896029D-01  0.666749D+00
      2   0.620257D+00  0.161052D+01 -0.224451D+01  0.126403D+00 -0.136349D+01
      3  -0.251686D+00 -0.896029D-01  0.126403D+00 -0.210028D+00  0.231821D+00
                86            87            88            89            90 
      1  -0.136349D+01  0.231821D+00  0.222339D-01 -0.389104D-01  0.954705D-01
      2   0.108755D+02 -0.104533D+01 -0.389104D-01 -0.904000D+00  0.446315D+00
      3  -0.104533D+01  0.108770D+01  0.954705D-01  0.446315D+00 -0.183116D+00
                91            92            93            94            95 
      1  -0.200239D+02 -0.307554D+01 -0.191016D+01 -0.104717D+01 -0.222855D+01
      2  -0.307554D+01 -0.912619D+00 -0.337321D+00 -0.222855D+01  0.137773D+01
      3  -0.191016D+01 -0.337321D+00 -0.316611D+01  0.250564D+00  0.330288D+01
                96            97            98            99           100 
      1   0.250564D+00 -0.669726D+01 -0.605919D+00 -0.601275D+01 -0.766727D+01
      2   0.330288D+01 -0.605919D+00  0.224600D+01 -0.167657D+01  0.155084D+01
      3  -0.727247D+00 -0.601275D+01 -0.167657D+01 -0.644242D+00  0.188681D+01
               101           102           103           104           105 
      1   0.155084D+01  0.188681D+01 -0.139800D+01  0.233976D+01  0.605019D+00
      2   0.169221D+01  0.713593D+00  0.233976D+01 -0.157427D+01 -0.335811D+01
      3   0.713593D+00  0.342263D+01  0.605019D+00 -0.335811D+01  0.117139D+01
               106           107           108           109           110 
      1   0.190274D+01  0.770807D+00  0.247339D+01 -0.309113D+01 -0.949153D+00
      2   0.770807D+00 -0.244409D+01  0.242864D+01 -0.949153D+00 -0.499002D+00
      3   0.247339D+01  0.242864D+01  0.317010D+01  0.146997D+00 -0.378017D+00
               111           112           113           114           115 
      1   0.146997D+00 -0.111176D+01  0.724228D+00  0.570852D-01  0.109582D+02
      2  -0.378017D+00  0.724228D+00 -0.154109D+00 -0.954530D-01  0.360098D+00
      3   0.703837D+00  0.570852D-01 -0.954530D-01  0.525936D+00  0.494126D+01
               116           117           118           119           120 
      1   0.360098D+00  0.494126D+01  0.369886D+01  0.187290D+01 -0.154504D+01
      2   0.267006D+00  0.288203D+00  0.187290D+01  0.979108D+00 -0.501017D+00
      3   0.288203D+00  0.681927D+00 -0.154504D+01 -0.501017D+00  0.165303D+01
               121           122           123           124           125 
      1   0.528833D+01  0.169777D+01 -0.106304D+01 -0.221637D+01 -0.551714D+00
      2   0.169777D+01  0.260471D+01 -0.199146D+01 -0.551714D+00 -0.186142D+01
      3  -0.106304D+01 -0.199146D+01  0.179091D+01  0.259839D+01  0.169625D+01
               126           127           128           129           130 
      1   0.259839D+01 -0.757837D+00 -0.262474D+00 -0.134268D+01  0.290670D+00
      2   0.169625D+01 -0.262474D+00 -0.104456D+01 -0.884085D+00 -0.392664D+00
      3  -0.348062D+01 -0.134268D+01 -0.884085D+00 -0.244726D+01 -0.113438D+00
               131           132           133           134           135 
      1  -0.392664D+00 -0.113438D+00 -0.171258D+01  0.254805D+00 -0.482354D+00
      2  -0.108424D+01 -0.105702D+01  0.254805D+00 -0.180111D+01 -0.248988D+01
      3  -0.105702D+01 -0.139323D+01 -0.482354D+00 -0.248988D+01 -0.733781D+01
               136           137           138           139           140 
      1  -0.117810D-01 -0.551388D+00  0.460182D+00 -0.120336D+01  0.301649D+00
      2  -0.551388D+00 -0.913626D+00  0.250628D-01  0.301649D+00 -0.443063D+01
      3   0.460182D+00  0.250628D-01 -0.777654D+00 -0.479625D-02  0.159206D+01
               141           142           143           144           145 
      1  -0.479625D-02  0.133054D+01 -0.671207D+00 -0.371839D+00  0.122012D+02
      2   0.159206D+01 -0.671207D+00  0.284003D+01 -0.153673D+01 -0.306563D+01
      3  -0.152982D+01 -0.371839D+00 -0.153673D+01  0.192705D+01 -0.218348D+01
               146           147           148           149           150 
      1  -0.306563D+01 -0.218348D+01 -0.169925D+01  0.142122D+01  0.195289D+00
      2   0.184226D+01  0.723261D+00  0.142122D+01 -0.510610D+00 -0.132890D-01
      3   0.723261D+00  0.143555D+01  0.195289D+00 -0.132890D-01 -0.147105D+00
               151           152           153           154           155 
      1  -0.138471D+01  0.270817D+00  0.135609D+01  0.186848D+02  0.258463D+01
      2   0.270817D+00  0.679471D-01 -0.604317D+00  0.258463D+01  0.226638D+01
      3   0.135609D+01 -0.604317D+00 -0.999627D+00  0.135135D+01  0.632545D+00
               156           157           158           159           160 
      1   0.135135D+01  0.342082D+01  0.411788D+01  0.230699D+00  0.232959D+01
      2   0.632545D+00  0.411788D+01  0.201185D+01  0.461560D+00  0.522513D+00
      3   0.300923D+01  0.230699D+00  0.461560D+00  0.368218D+00  0.298552D+01
               161           162           163           164           165 
      1   0.522513D+00  0.298552D+01  0.113348D+02  0.400459D+00  0.445565D+01
      2  -0.112214D+00  0.674350D+00  0.400459D+00 -0.523880D+00 -0.217423D+00
      3   0.674350D+00  0.567798D+00  0.445565D+01 -0.217423D+00  0.102681D+01
               166           167           168           169           170 
      1   0.195199D+01 -0.468226D+00  0.371100D+00  0.155572D+01 -0.400655D+00
      2  -0.468226D+00 -0.375803D+00  0.118587D+01 -0.400655D+00  0.548996D+00
      3   0.371100D+00  0.118587D+01 -0.115501D+00  0.416355D+00  0.197187D+00
               171           172           173           174           175 
      1   0.416355D+00 -0.102372D+02 -0.188330D-01 -0.249853D+01 -0.119477D+01
      2   0.197187D+00 -0.188330D-01 -0.794908D-01  0.136669D+00  0.324956D+00
      3   0.644509D+01 -0.249853D+01  0.136669D+00 -0.270624D+01 -0.305245D+00
               176           177           178           179           180 
      1   0.324956D+00 -0.305245D+00 -0.609781D+01  0.106880D+00 -0.244086D+01
      2  -0.774638D-01  0.591507D+00  0.106880D+00  0.104365D+01 -0.115011D+00
      3   0.591507D+00 -0.487340D+00 -0.244086D+01 -0.115011D+00 -0.482931D-01
               181           182           183           184           185 
      1  -0.583440D+01  0.156413D+01 -0.162842D+00 -0.133068D+02 -0.270194D+01
      2   0.156413D+01 -0.905495D+01 -0.701802D-01 -0.270194D+01  0.522006D+01
      3  -0.162842D+00 -0.701802D-01 -0.193536D+01  0.114615D+01 -0.373999D+00
               186           187           188           189           190 
      1   0.114615D+01  0.110185D+01 -0.611631D+00 -0.393613D+01 -0.413284D+02
      2  -0.373999D+00 -0.611631D+00  0.318162D-02 -0.238650D+01 -0.551322D+01
      3  -0.123199D+01 -0.393613D+01 -0.238650D+01  0.175591D+01  0.349970D+01
               191           192           193           194           195 
      1  -0.551322D+01  0.349970D+01 -0.142611D+01 -0.233468D+01 -0.594094D+00
      2  -0.897186D+01  0.105188D+01 -0.233468D+01 -0.120496D+02  0.956546D+00
      3   0.105188D+01 -0.335263D+01 -0.594094D+00  0.956546D+00  0.416018D+00
               196           197           198           199           200 
      1   0.352033D+01  0.116554D+00 -0.713186D+01  0.377845D+02  0.886432D+01
      2   0.116554D+00  0.219604D+01 -0.743208D+00  0.886432D+01  0.748761D+01
      3  -0.713186D+01 -0.743208D+00  0.178286D+01 -0.413384D+01 -0.733969D+00
               201           202           203           204           205 
      1  -0.413384D+01  0.164888D+02  0.362572D+01 -0.177264D+01 -0.628116D+01
      2  -0.733969D+00  0.362572D+01  0.549601D+01 -0.192874D+00 -0.913699D+00
      3   0.617495D+00 -0.177264D+01 -0.192874D+00  0.226792D+01  0.598082D+00
               206           207           208           209           210 
      1  -0.913699D+00  0.598082D+00  0.121258D+02  0.402391D+01 -0.179281D+01
      2  -0.592757D+00  0.435423D+01  0.402391D+01  0.318905D+01 -0.731154D+00
      3   0.435423D+01 -0.120923D+01 -0.179281D+01 -0.731154D+00  0.614528D-01
               211           212           213           214           215 
      1  -0.204080D+01 -0.294026D+01  0.401809D+00 -0.130432D+01 -0.106874D+00
      2  -0.294026D+01  0.141592D+01  0.162302D+00 -0.106874D+00 -0.373854D+00
      3   0.401809D+00  0.162302D+00 -0.972308D+00  0.564030D-01  0.764805D+00
               216           217           218           219           220 
      1   0.564030D-01  0.173552D+00 -0.409541D+01  0.706051D+00 -0.449524D+01
      2   0.764805D+00 -0.409541D+01 -0.466525D+00  0.111118D+01  0.257536D+01
      3   0.260540D-01  0.706051D+00  0.111118D+01  0.102247D+00  0.121847D+01
               221           222           223           224           225 
      1   0.257536D+01  0.121847D+01  0.886299D+00  0.103385D+01  0.186017D+01
      2   0.162013D+01  0.672455D+00  0.103385D+01  0.823071D+00  0.406276D+01
      3   0.672455D+00  0.557543D+01  0.186017D+01  0.406276D+01 -0.196908D+01
               226           227           228           229           230 
      1   0.668280D+00 -0.151028D+01  0.819282D-01 -0.527245D+00  0.767939D+00
      2  -0.151028D+01  0.202163D+01 -0.340126D-01  0.767939D+00 -0.981655D+01
      3   0.819282D-01 -0.340126D-01  0.162681D+00 -0.122597D+00  0.680815D+00
               231           232           233           234           235 
      1  -0.122597D+00 -0.271898D-01  0.460810D-01 -0.764428D-01 -0.648953D+01
      2   0.680815D+00  0.460810D-01  0.710833D+00 -0.339889D+00 -0.320419D+01
      3  -0.963753D+00 -0.764428D-01 -0.339889D+00  0.150836D+00  0.103690D+01
               236           237           238           239           240 
      1  -0.320419D+01  0.103690D+01 -0.474746D+01 -0.432071D+01  0.931095D+00
      2  -0.264865D+01  0.551041D+00 -0.432071D+01 -0.479990D+01  0.885844D+00
      3   0.551041D+00 -0.531216D+00  0.931095D+00  0.885844D+00 -0.823382D+00
               241           242           243           244           245 
      1   0.142177D+01  0.892441D+00  0.131215D+00 -0.138751D+01  0.258027D+01
      2   0.892441D+00  0.822009D+00 -0.346058D+00  0.258027D+01 -0.206744D+01
      3   0.131215D+00 -0.346058D+00  0.110033D+00 -0.209680D+00 -0.470461D-01
               246           247           248           249           250 
      1  -0.209680D+00  0.305578D+01 -0.360321D+01  0.167796D+00 -0.267360D+00
      2  -0.470461D-01 -0.360321D+01  0.838921D+01 -0.405983D+00  0.739405D-01
      3  -0.286638D+00  0.167796D+00 -0.405983D+00  0.100886D+01 -0.294256D+00
               251           252           253           254           255 
      1   0.739405D-01 -0.294256D+00  0.586234D+00 -0.217674D-02  0.938453D+00
      2  -0.591933D+00  0.269949D+00 -0.217674D-02  0.357216D+00 -0.553715D-01
      3   0.269949D+00 -0.107372D+00  0.938453D+00 -0.553715D-01  0.437384D+00
               256           257           258           259           260 
      1  -0.114707D+01 -0.149198D+01  0.969570D+00  0.368231D+01  0.112958D+01
      2  -0.149198D+01 -0.220686D+01  0.190441D+01  0.112958D+01  0.179037D+01
      3   0.969570D+00  0.190441D+01 -0.281057D+01 -0.278226D+01 -0.267972D+01
               261           262           263           264           265 
      1  -0.278226D+01 -0.989234D+00 -0.690776D+00 -0.146010D+01 -0.258848D+01
      2  -0.267972D+01 -0.690776D+00 -0.258663D+00 -0.526218D+00 -0.255040D+01
      3   0.627892D+01 -0.146010D+01 -0.526218D+00 -0.134908D+00 -0.135960D+01
               266           267           268           269           270 
      1  -0.255040D+01 -0.135960D+01 -0.454346D+01 -0.187785D+01 -0.221270D+01
      2  -0.350660D+01 -0.204525D+01 -0.187785D+01 -0.236564D+01 -0.249137D+01
      3  -0.204525D+01 -0.252311D+01 -0.221270D+01 -0.249137D+01 -0.353740D+01
               271           272           273           274           275 
      1  -0.136061D+02  0.272570D+01  0.932626D+00  0.601615D+01 -0.233860D+01
      2   0.272570D+01 -0.131898D+01 -0.285054D+00 -0.233860D+01  0.184496D+01
      3   0.932626D+00 -0.285054D+00 -0.110428D+01 -0.579991D+00  0.102614D+00
               276           277           278           279 
      1  -0.579991D+00  0.666904D+00 -0.293292D+00 -0.180336D+01
      2   0.102614D+00 -0.293292D+00 -0.368928D-01  0.282820D-01
      3   0.393727D+00 -0.180336D+01  0.282820D-01  0.483939D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.195186D+01  0.389159D+01 -0.277199D+00  0.531520D+01  0.546839D+01
      2   0.140596D+02  0.606696D+01 -0.119679D+01 -0.142322D+02  0.225396D+00
      3  -0.225066D+01  0.388138D+02 -0.337978D+01  0.312358D+02  0.229364D+02
                 6             7             8             9            10 
      1  -0.102256D+01  0.331624D+01  0.714685D+01 -0.840102D+00  0.167965D+01
      2   0.762599D+00 -0.186741D+02 -0.237749D+01  0.212323D+01 -0.168096D+02
      3  -0.470334D+01 -0.279074D+01 -0.834254D+01 -0.237870D+00 -0.217218D+01
                11            12            13            14            15 
      1   0.662289D+01 -0.666481D+00  0.621572D+01  0.836656D+00  0.223428D+00
      2   0.110541D+01 -0.266982D+01  0.206059D+02  0.399050D+01 -0.271832D+01
      3   0.458876D+02 -0.391647D+01  0.609294D+02  0.227105D+02 -0.836829D+01
                16            17            18            19            20 
      1   0.184183D+01  0.624015D+01 -0.939397D+00  0.288803D+01 -0.253487D+00
      2  -0.200202D+02 -0.149550D+01  0.259425D+01 -0.215635D+02 -0.762438D+01
      3  -0.473358D+01 -0.845363D+01  0.213508D+01  0.102279D+02 -0.308357D+02
                21            22            23            24            25 
      1  -0.526499D+00 -0.489844D+00  0.377705D+01 -0.243232D+01  0.425648D+01
      2   0.626914D+00 -0.106326D+02 -0.139867D+01 -0.118713D+01 -0.172359D+02
      3   0.170030D+01  0.313854D+01  0.170298D+01 -0.654291D-01  0.339345D+01
                26            27            28            29            30 
      1   0.156911D+01  0.256607D+01  0.248996D+01  0.674219D+00 -0.433824D+00
      2  -0.645512D+01  0.220498D+01  0.263075D+02  0.330535D+01  0.925413D+00
      3   0.498277D+01  0.251364D+01  0.109239D+02  0.724243D+01 -0.687087D+00
                31            32            33            34            35 
      1   0.588306D+01 -0.581915D+01  0.281073D+01 -0.142864D+01  0.138288D+02
      2   0.398550D+01 -0.193988D+00  0.575863D-01 -0.129437D+02 -0.101032D+01
      3   0.278847D+02  0.500357D+01  0.163830D+01 -0.325744D+01 -0.165774D+01
                36            37            38            39            40 
      1  -0.243012D+01  0.180859D+01 -0.474202D+01 -0.411699D+01 -0.336065D+01
      2   0.119131D+01  0.300263D+01  0.261708D+00  0.231203D+01  0.329217D+01
      3  -0.270527D+00  0.273131D+02  0.240402D+01 -0.722628D+00 -0.311655D+01
                41            42            43            44            45 
      1   0.527579D+01 -0.118561D+01 -0.154942D+02  0.750956D+01  0.146371D+01
      2   0.222866D+01  0.980687D+00 -0.851323D+01  0.679566D+01  0.113423D+01
      3   0.181073D+01 -0.126978D+01 -0.262185D+00 -0.171376D+01  0.663231D+01
                46            47            48            49            50 
      1  -0.480010D+01 -0.502323D-01  0.419480D+01 -0.164726D+01 -0.354834D+01
      2  -0.897357D+01 -0.151700D+01  0.957143D+00 -0.177482D+01 -0.131046D+01
      3  -0.475165D+02 -0.333074D+02  0.625339D+01 -0.740568D+01 -0.221865D+02
                51            52            53            54            55 
      1  -0.322865D+01  0.877613D+01 -0.402597D+01 -0.301014D+01 -0.147902D+01
      2   0.921645D+00 -0.164179D+02  0.120156D+01  0.173336D+00 -0.575877D+01
      3   0.300470D+01  0.752489D+01  0.570435D+01 -0.652257D+01 -0.289454D+02
                56            57            58            59            60 
      1  -0.552608D+01  0.454889D+01  0.104709D+01 -0.293638D+01 -0.224302D+01
      2  -0.389300D+01 -0.403108D+01 -0.327808D+01 -0.286922D+01  0.387307D+01
      3  -0.337463D+02  0.484723D+01 -0.214088D+01 -0.248247D+02  0.138216D+01
                61            62            63            64            65 
      1   0.598652D+01 -0.203609D+01 -0.686375D+00  0.460280D+00  0.742375D+00
      2  -0.206092D+02  0.565061D+01  0.803066D+00 -0.248130D+00 -0.305447D+00
      3   0.401485D+01  0.559796D+01 -0.105392D+02 -0.925653D+00  0.149163D+01
                66            67            68            69            70 
      1   0.587751D+00 -0.404219D+00  0.167721D+01 -0.339805D+01  0.456142D+00
      2  -0.880059D-01 -0.621686D+00  0.851569D+00 -0.108431D+01 -0.183000D+01
      3  -0.732509D-02  0.536995D+01  0.413498D+01 -0.517061D+00 -0.799456D-01
                71            72            73            74            75 
      1   0.197442D+01 -0.262126D+00 -0.202067D+00 -0.124073D+01 -0.238186D+01
      2   0.136845D+01 -0.343018D-01  0.371660D+01  0.133806D+01  0.167757D+01
      3  -0.542355D+00 -0.791778D+00  0.961863D+01  0.259377D+00 -0.846442D+00
                76            77            78            79            80 
      1  -0.147692D+01 -0.204814D+01 -0.267677D+01  0.268005D+01  0.108689D+01
      2   0.164370D+01  0.147928D+01  0.216898D+01 -0.306475D+01  0.161198D+00
      3   0.161918D+01 -0.126225D+01 -0.585123D-01 -0.185545D+01  0.109883D+00
                81            82            83            84            85 
      1  -0.133822D+00 -0.117253D+01  0.143777D+01  0.130287D+01  0.316957D+00
      2  -0.592214D+00 -0.855171D+00  0.887295D+00  0.630808D+00  0.699440D+00
      3  -0.988157D+00 -0.515852D+01  0.290427D+01  0.138114D-01  0.524120D+01
                86            87            88            89            90 
      1  -0.421382D+01 -0.453453D+01 -0.137368D+01  0.211110D+01  0.305012D+00
      2  -0.124958D+01 -0.836748D+00 -0.215661D+00 -0.813599D+00  0.196944D+00
      3  -0.389311D+01  0.677989D+00  0.567284D+00  0.430440D+00  0.828652D+00
                91            92            93            94            95 
      1  -0.218462D+00  0.122221D+01 -0.155085D+00 -0.111585D+01  0.242398D-01
      2  -0.199283D+02 -0.221785D+01 -0.990160D+01  0.178796D+00  0.869867D+01
      3   0.153602D+01 -0.970431D+00 -0.912370D+00  0.171934D+02 -0.684673D+01
                96            97            98            99           100 
      1  -0.330678D+01 -0.253500D+01  0.375077D+01  0.340921D+01  0.632001D+00
      2  -0.213219D+01 -0.372873D+02 -0.542144D+01 -0.593109D+01 -0.302715D+01
      3  -0.133610D+02 -0.340716D+00 -0.116030D+02  0.540762D+01  0.109730D+02
               101           102           103           104           105 
      1  -0.322331D+01  0.382754D+01 -0.125598D+01 -0.385495D+01  0.571456D+01
      2   0.453175D+01  0.167911D+02  0.132391D+01 -0.880963D+01  0.530841D+01
      3  -0.165966D+02 -0.657626D+01 -0.107654D+02  0.112997D+01  0.141949D+02
               106           107           108           109           110 
      1   0.532465D+00  0.104576D+02  0.154851D+01 -0.382500D+01 -0.174732D+01
      2   0.837674D+01  0.962621D+01  0.142594D+02  0.204107D+02  0.253581D+01
      3  -0.490009D+01  0.992203D+01 -0.148483D+02  0.830862D-01  0.151391D+02
               111           112           113           114           115 
      1   0.429489D+01 -0.116836D+02 -0.363901D+01 -0.163625D+02  0.323764D+01
      2   0.910478D+00 -0.508401D+00  0.842183D+00 -0.234901D+01  0.167073D+02
      3  -0.265544D-02  0.120703D+02  0.767915D+01  0.260236D+01 -0.252509D+00
               116           117           118           119           120 
      1  -0.465756D+01  0.156771D+01 -0.893843D+00 -0.129525D+01  0.488006D+00
      2  -0.148518D+01  0.218649D+01 -0.258919D+01 -0.366755D+00  0.568948D+01
      3   0.419685D+01 -0.291042D+00 -0.718348D+01 -0.555182D+01  0.183512D+01
               121           122           123           124           125 
      1  -0.321345D+00 -0.255718D+01  0.624707D+00  0.325661D+00  0.279489D+01
      2   0.892145D+00 -0.523136D+01  0.564510D+01  0.563919D+01  0.499899D+01
      3  -0.187382D+01 -0.942821D+01  0.720545D+01  0.163367D+01  0.798985D+01
               126           127           128           129           130 
      1  -0.993874D+00 -0.131000D+01  0.144038D+01 -0.273409D+01  0.424000D+00
      2  -0.914376D+01 -0.775977D+01 -0.286000D+01 -0.949479D+01 -0.189008D+00
      3  -0.640180D+01  0.417055D+01  0.471363D+01  0.604287D+01  0.344825D+01
               131           132           133           134           135 
      1  -0.178722D+00 -0.212034D+01 -0.183326D+01  0.104727D+01 -0.783572D+01
      2  -0.429085D+01 -0.517079D+01 -0.649652D+01 -0.825607D+01 -0.258755D+02
      3   0.436415D+01  0.475485D+01  0.295467D+01  0.617278D+01  0.123992D+02
               136           137           138           139           140 
      1   0.211114D+01  0.133502D+01 -0.217102D+01  0.390892D+00  0.819239D+01
      2   0.231615D+01 -0.736747D+00 -0.195287D+01 -0.798608D+00  0.572942D+01
      3   0.522031D+01  0.501539D+01 -0.176922D+01  0.368566D+01  0.181110D+02
               141           142           143           144           145 
      1  -0.689814D+01 -0.553772D+00 -0.506487D+01  0.725273D+01  0.244678D+00
      2  -0.512158D+01 -0.190224D+01 -0.556647D+01  0.620595D+01  0.717900D+01
      3  -0.731790D+01 -0.185550D+01 -0.112976D+02  0.838834D+01 -0.731943D+01
               146           147           148           149           150 
      1  -0.166021D+01  0.181964D+01 -0.127302D+01  0.707300D+00 -0.126246D+01
      2  -0.508432D+00  0.524667D+01 -0.975481D+00  0.188877D+01 -0.406676D+00
      3  -0.573056D+01  0.528793D-01 -0.183910D+01  0.598556D+00 -0.127532D+01
               151           152           153           154           155 
      1   0.141528D+01 -0.503627D+00 -0.465845D+00  0.333337D+01  0.167711D+01
      2   0.266928D+01 -0.165223D+01 -0.226126D+01 -0.930307D+01  0.106364D+00
      3   0.967243D+00 -0.119793D+01  0.611410D+00 -0.585614D+01 -0.246346D+02
               156           157           158           159           160 
      1  -0.416501D+01  0.842151D+01  0.244392D+01  0.826180D+00 -0.198719D+01
      2   0.226637D+02  0.220619D+01 -0.130288D+01  0.389999D+01  0.939588D+01
      3  -0.112366D+01 -0.151980D+02 -0.107014D+02 -0.175715D+01 -0.364292D+00
               161           162           163           164           165 
      1   0.333250D+01 -0.148662D+00  0.390150D+01  0.170141D+01  0.902542D+00
      2   0.320816D+01  0.228245D+01 -0.713789D+01 -0.258011D+01  0.128059D+01
      3  -0.308467D+01 -0.205492D+01 -0.305505D+01 -0.351815D+01  0.374926D+00
               166           167           168           169           170 
      1   0.368609D+01 -0.196803D+00  0.445182D+01  0.216357D+01  0.735263D+01
      2  -0.235648D+01  0.556508D+01  0.236012D+00 -0.999972D+01  0.670954D+00
      3   0.253436D+01  0.539808D+00 -0.519317D+01  0.933792D+00 -0.237582D+01
               171           172           173           174           175 
      1  -0.159011D+01 -0.443079D+01 -0.158078D+01 -0.157581D+01 -0.458119D+01
      2   0.210416D+02  0.188341D+02  0.128810D+01 -0.455838D+01  0.299987D+01
      3   0.176394D+00  0.250680D+01  0.163369D+01  0.187401D+00  0.451719D+01
               176           177           178           179           180 
      1   0.617492D-01 -0.255910D+01 -0.154205D+01 -0.863326D+00 -0.604624D+00
      2   0.180960D+01 -0.802030D+00 -0.357016D+00  0.430441D+00  0.110997D+01
      3  -0.112607D+00 -0.754975D+00  0.387272D+00  0.969186D+00  0.229394D+00
               181           182           183           184           185 
      1  -0.413617D+00  0.370301D+01 -0.490382D+01 -0.249702D+01 -0.333292D-01
      2   0.345848D+00  0.199554D+01  0.659091D+01 -0.580515D+01  0.197395D+01
      3   0.159976D+02  0.429371D+01 -0.209544D+01 -0.140378D+02  0.703850D+01
               186           187           188           189           190 
      1  -0.109681D+01 -0.110743D+02  0.663275D+01  0.210219D+01  0.210244D+01
      2   0.300050D+01 -0.423534D+01  0.952097D+01 -0.312250D+01 -0.133257D+02
      3   0.411592D+00  0.113923D+01 -0.323141D+01  0.539178D+00  0.428655D+01
               191           192           193           194           195 
      1   0.683478D+01  0.882526D+00  0.572400D+01  0.572175D+01  0.215743D+01
      2  -0.635316D+00  0.865841D+00  0.287675D+01 -0.213439D+01 -0.624297D+00
      3   0.190242D+02 -0.283961D+01  0.375851D+02  0.430233D+01 -0.469017D+01
               196           197           198           199           200 
      1  -0.458879D+00  0.110751D+02 -0.190408D+01  0.503159D+00 -0.632027D+01
      2   0.334292D+01 -0.369577D+01 -0.210957D+01  0.145501D+02 -0.131913D+01
      3  -0.469612D+01 -0.418274D+01 -0.126162D+01  0.177903D+02 -0.360046D+02
               201           202           203           204           205 
      1  -0.274989D-01 -0.460773D+00 -0.310233D+01 -0.271810D+01  0.607067D+01
      2   0.180606D+01  0.338635D+01 -0.151124D+01 -0.388734D+01 -0.209281D+02
      3   0.265163D+01  0.239588D+01 -0.102438D+02  0.238931D+01 -0.244873D+00
               206           207           208           209           210 
      1   0.318201D+01 -0.103791D+01 -0.175108D+01 -0.612332D+01 -0.106630D+01
      2  -0.154616D+02  0.459163D+01  0.461196D+01 -0.133164D+01  0.133771D+02
      3   0.771194D+01  0.768640D+01 -0.159088D+01 -0.379015D+02  0.314179D+01
               211           212           213           214           215 
      1  -0.342074D-01  0.476749D+00 -0.455228D+01 -0.196568D+01 -0.694880D+00
      2  -0.794117D+00  0.711155D+00  0.474846D+01 -0.564758D+01 -0.156984D+01
      3  -0.105780D+01  0.124439D+02 -0.104400D+01  0.152232D+01  0.393341D+01
               216           217           218           219           220 
      1   0.115750D+01 -0.117538D+01  0.246029D+01  0.115824D+01  0.376553D+01
      2  -0.106853D+01 -0.587080D+01 -0.382839D+01 -0.104289D+01 -0.489110D+01
      3   0.268958D+01 -0.303844D+02  0.109947D+02  0.605787D+01  0.258257D+02
               221           222           223           224           225 
      1   0.324637D+01  0.364334D+01  0.947904D+01  0.627917D+01 -0.109013D+00
      2  -0.383792D+01 -0.357614D+02 -0.166078D+02 -0.267665D+02  0.125916D+02
      3   0.215124D+02  0.160751D+01  0.571805D+01  0.172827D+01  0.275180D+02
               226           227           228           229           230 
      1  -0.340780D+00  0.433857D+00  0.122373D+01 -0.199993D+00  0.293852D+00
      2  -0.536442D+00  0.166233D+00  0.230873D+00  0.553817D+00 -0.184159D+01
      3  -0.732498D+01  0.556140D+01  0.148228D+00  0.550885D+01 -0.199197D+02
               231           232           233           234           235 
      1  -0.445215D+01 -0.506176D+00  0.218321D+01  0.244999D+00  0.145924D+01
      2   0.832531D+00  0.780099D-01  0.817592D-01 -0.876181D-01 -0.178146D+01
      3   0.164033D+01  0.402272D+00  0.107977D+01 -0.336712D-01  0.364957D+01
               236           237           238           239           240 
      1   0.154290D+00 -0.189918D+01  0.644811D+00 -0.810033D-01 -0.268080D+01
      2  -0.122245D+01  0.221560D+01 -0.199967D+01 -0.222866D+01  0.362844D+01
      3  -0.450495D+01 -0.118584D+00 -0.496555D+01 -0.114392D+02  0.152975D+01
               241           242           243           244           245 
      1   0.196333D+01  0.876455D+00  0.797591D-01 -0.224873D+00  0.585666D+00
      2  -0.238131D+01  0.778169D+00 -0.473424D+00 -0.357755D-01  0.615554D+00
      3  -0.826902D-01  0.154473D+01 -0.140879D+01  0.356477D+01 -0.326172D+01
               246           247           248           249           250 
      1   0.119780D+01  0.395690D+00 -0.491419D+00 -0.383054D+01  0.197478D+00
      2   0.122054D+01  0.213298D+00  0.519962D+00 -0.335194D+01 -0.156137D+01
      3  -0.250060D+00 -0.232869D+01  0.198693D+02 -0.115036D+01 -0.131711D+00
               251           252           253           254           255 
      1   0.158993D+01  0.507693D-01 -0.743842D+00  0.250903D+00  0.874467D+00
      2  -0.111527D+00  0.345661D+00 -0.692853D+01  0.657066D+00 -0.244530D+01
      3  -0.188519D+01  0.261264D+00 -0.159239D+01  0.103977D+01 -0.113108D+01
               256           257           258           259           260 
      1  -0.331247D+00 -0.121936D+01 -0.159238D+01 -0.132593D+01  0.193195D+01
      2  -0.362029D+01 -0.104731D+02  0.163662D+02  0.110412D+02  0.158880D+02
      3  -0.743504D+01 -0.165835D+02  0.120667D+02  0.501487D+01  0.128086D+02
               261           262           263           264           265 
      1   0.322618D+01 -0.362746D+00 -0.345276D+00 -0.229937D+00 -0.202804D+01
      2  -0.354940D+02  0.924020D+01  0.304953D+01  0.168884D+01  0.670810D+01
      3  -0.174197D+02 -0.508746D+01 -0.273126D+01 -0.224117D+01 -0.127356D+02
               266           267           268           269           270 
      1  -0.253776D+01 -0.404001D+01 -0.305835D+01 -0.100491D+01 -0.479080D+01
      2   0.117969D+02  0.157284D+02  0.108926D+02  0.152939D+02  0.211207D+02
      3  -0.245573D+02 -0.121027D+02 -0.829990D+01 -0.154866D+02 -0.152959D+02
               271           272           273           274           275 
      1   0.168195D+01 -0.105950D+01  0.269046D-01 -0.135660D+01  0.872534D+00
      2   0.145665D+00  0.417654D+00  0.827265D+01  0.911697D+00  0.372469D+00
      3   0.220588D+02 -0.125904D+02 -0.207040D+01 -0.155588D+02  0.125558D+02
               276           277           278           279 
      1  -0.857087D+00 -0.111934D+01  0.365442D+00  0.191164D+00
      2  -0.272494D+01  0.906098D+01  0.186421D-01 -0.224813D+01
      3   0.808264D+00 -0.202611D+01  0.172207D+00  0.349365D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.930761D+02 -0.479065D+02  0.118435D+02  0.877038D+02 -0.626140D+01
      2   0.532980D+02  0.294331D+02 -0.840882D+01 -0.433473D+02  0.921322D+01
      3   0.397781D+02  0.184734D+02 -0.343468D+01 -0.443565D+02 -0.295182D+01
      4  -0.432919D+02  0.392837D+01  0.249130D+01 -0.486494D+01  0.864045D+01
      5   0.127940D+02  0.209443D+01 -0.250384D+01  0.248663D+01  0.183478D+01
      6   0.549306D+00 -0.504419D+01  0.551959D+00  0.357842D+01  0.186674D+01
                 6             7             8             9            10 
      1  -0.931278D+01  0.206552D+01  0.505129D+01 -0.116662D+02  0.760759D+02
      2   0.328957D+01 -0.319183D+01 -0.425417D+01 -0.273994D+00 -0.297493D+02
      3   0.602321D+01  0.112631D+01 -0.797120D+00  0.119402D+02 -0.463266D+02
      4  -0.149838D+00  0.504289D+01 -0.393193D+00 -0.207268D+00  0.208082D+01
      5  -0.113111D+01 -0.180270D+01  0.163264D+01  0.310851D+01 -0.917514D+01
      6  -0.101870D+01 -0.281950D+01  0.272474D+01  0.208015D+01  0.298390D+00
                11            12            13            14            15 
      1  -0.128812D+02 -0.755614D+01 -0.104122D+03 -0.292072D+02  0.119194D+02
      2   0.101755D+02  0.936255D+00  0.487540D+02  0.235291D+02 -0.792327D+01
      3   0.270565D+01  0.661988D+01  0.553677D+02  0.567801D+01 -0.399609D+01
      4   0.502463D+01 -0.184319D+01 -0.203705D+02 -0.144859D+02  0.250263D+01
      5  -0.550125D+00 -0.653283D+01  0.304214D+00  0.269901D-01 -0.954493D-01
      6  -0.108804D+01 -0.619322D+00 -0.125308D+01 -0.534663D+01 -0.530926D+00
                16            17            18            19            20 
      1   0.660675D+00  0.353512D+01 -0.860828D+01  0.591980D+02  0.521043D+02
      2  -0.271228D+01 -0.265717D+01 -0.143176D+01 -0.355027D+02 -0.366997D+02
      3   0.205160D+01 -0.877947D+00  0.100400D+02 -0.236954D+02 -0.154046D+02
      4   0.194647D+01  0.131604D+01 -0.221489D+01  0.403223D+02 -0.747599D+01
      5   0.163753D+01 -0.181648D+01  0.348998D+01 -0.938166D+01 -0.383515D+01
      6  -0.140641D+01  0.432218D+01  0.336358D+00 -0.127051D+00  0.107956D+02
                21            22            23            24            25 
      1  -0.149396D+02 -0.111242D+02  0.217861D+02 -0.671849D+01 -0.658396D+01
      2   0.862835D+01  0.162644D+02 -0.261258D+02  0.351323D+01  0.206975D+00
      3   0.631125D+01 -0.514027D+01  0.433968D+01  0.320526D+01  0.637699D+01
      4  -0.332743D+01  0.157090D+02  0.110957D+01 -0.129414D+01 -0.109711D+02
      5  -0.165802D+01 -0.384111D+01 -0.121441D+01 -0.500539D+01  0.669027D+01
      6  -0.814988D+00 -0.284177D+01  0.804503D+01  0.423238D+01  0.532198D+00
                26            27            28            29            30 
      1  -0.165509D+02 -0.604974D+01  0.114503D+02 -0.119208D+01  0.780973D+01
      2   0.985525D+01 -0.494949D+01 -0.186666D+02  0.400499D+01 -0.337325D+01
      3   0.669567D+01  0.109992D+02  0.721631D+01 -0.281292D+01 -0.443648D+01
      4  -0.956369D+00 -0.317378D+01 -0.836976D+01  0.996489D+01 -0.136331D+01
      5  -0.794024D+01  0.414165D+01  0.772411D+01 -0.179514D+01  0.728271D+01
      6   0.869564D+01  0.327570D+01  0.182944D+01 -0.461813D+01  0.129846D+01
                31            32            33            34            35 
      1  -0.336673D+02 -0.670536D+02  0.963673D+01  0.135118D+02  0.104261D+02
      2   0.273999D+02  0.571888D+02 -0.106109D+02 -0.114483D+01 -0.785276D+01
      3   0.626741D+01  0.986481D+01  0.974121D+00 -0.123670D+02 -0.257333D+01
      4  -0.386296D+02  0.620553D+01 -0.137856D+01  0.855187D+01 -0.329075D+01
      5   0.873765D+01  0.143185D+01 -0.166728D+00  0.240270D+02  0.465323D+01
      6   0.125562D+01 -0.167811D+02 -0.926858D+00 -0.515303D+00  0.578816D+01
                36            37            38            39            40 
      1  -0.634117D+01 -0.112918D+02 -0.630670D+02  0.102490D+02  0.294069D+02
      2  -0.675965D+01  0.492117D+01  0.487656D+02 -0.428890D+01 -0.287583D+02
      3   0.131008D+02  0.637066D+01  0.143015D+02 -0.596013D+01 -0.648607D+00
      4  -0.653280D+00 -0.119114D+02 -0.753676D+01  0.464826D+01  0.138158D+02
      5  -0.181391D+01 -0.925649D+00  0.863505D+01  0.379064D+01  0.900425D+00
      6   0.852462D+00  0.625974D+01 -0.917226D+01  0.876598D+01  0.389176D+01
                41            42            43            44            45 
      1   0.423231D+02 -0.620055D+01  0.554047D+01  0.644334D+01 -0.150343D+02
      2  -0.382184D+02  0.714349D+01  0.692925D+01  0.112151D+00 -0.951698D+00
      3  -0.410470D+01 -0.942943D+00 -0.124697D+02 -0.655549D+01  0.159860D+02
      4  -0.168506D+02  0.336453D+01  0.907739D+01  0.490614D+01  0.775969D+01
      5   0.695816D+00  0.479298D+01  0.151563D+02  0.429522D+01 -0.553189D+01
      6   0.131941D+02 -0.613782D+00  0.179449D+02  0.920964D+01 -0.741364D+01
                46            47            48            49            50 
      1   0.219328D+02  0.490078D+02 -0.123763D+02 -0.965015D+01  0.657331D+01
      2  -0.158862D+02 -0.357488D+02  0.541629D+01  0.827148D+01 -0.155567D+02
      3  -0.604661D+01 -0.132590D+02  0.696006D+01  0.137866D+01  0.898335D+01
      4   0.426496D+01 -0.878747D+01  0.235626D+00  0.728647D+01  0.109266D+02
      5   0.910649D+01 -0.192334D+01 -0.748281D+00  0.146887D+01 -0.140654D+01
      6  -0.169032D+01  0.124860D+02 -0.844516D+01 -0.258663D+01  0.497658D+01
                51            52            53            54            55 
      1  -0.143608D+01 -0.403899D+01 -0.684855D+01 -0.206907D+02  0.135937D+02
      2   0.462468D+01  0.464386D+00  0.138403D+02  0.981552D+01 -0.157690D+02
      3  -0.318861D+01  0.357460D+01 -0.699179D+01  0.108752D+02  0.217531D+01
      4  -0.196864D+01 -0.172418D+01  0.246357D+01 -0.382192D+01  0.341611D+02
      5  -0.655970D-01  0.350175D+01 -0.269146D+00  0.416789D+01 -0.114919D+02
      6   0.703598D+01 -0.599484D+01  0.206751D+02 -0.395260D+01 -0.209141D+01
                56            57            58            59            60 
      1   0.535344D+02 -0.982333D+01  0.391061D+01  0.253386D+02 -0.425990D+01
      2  -0.343999D+02  0.507681D+01  0.446486D+00 -0.256172D+02  0.390380D+01
      3  -0.191346D+02  0.474653D+01 -0.435710D+01  0.278537D+00  0.356099D+00
      4  -0.354834D+02 -0.248512D+00  0.291481D+02  0.133957D+02 -0.168800D+01
      5  -0.775110D+00 -0.785201D+01 -0.431856D+01 -0.618592D+00  0.558895D+01
      6   0.477115D+01 -0.662274D+01 -0.173096D+01  0.510117D+01  0.622986D+01
                61            62            63            64            65 
      1  -0.347743D+01 -0.974717D+01 -0.182686D+02  0.132102D+01 -0.231010D+00
      2   0.252364D+01  0.101313D+02  0.654583D+01  0.171193D+01 -0.129641D+01
      3   0.953792D+00 -0.384097D+00  0.117228D+02 -0.303295D+01  0.152742D+01
      4  -0.532690D+01  0.767600D+01  0.106063D+02 -0.703620D+01  0.912702D+01
      5   0.280210D+01  0.125763D+02  0.109569D+01 -0.236043D+01  0.164084D+01
      6  -0.882589D+00  0.197551D+02  0.459523D-01  0.193271D+01 -0.152826D+01
                66            67            68            69            70 
      1  -0.581799D+00  0.388819D+01 -0.211005D+02 -0.534496D-01 -0.241424D+01
      2   0.276400D+00 -0.733344D+01  0.270583D+02 -0.162758D-01  0.178491D+01
      3   0.305399D+00  0.344525D+01 -0.595781D+01  0.697254D-01  0.629329D+00
      4   0.602984D+00  0.122194D+02 -0.176829D+02 -0.242006D+00  0.297105D+00
      5   0.887053D+00  0.159003D+01 -0.367892D+00 -0.211157D+01  0.677090D+00
      6  -0.631835D+00 -0.226116D+01  0.426122D+01  0.496564D+01 -0.206206D+01
                71            72            73            74            75 
      1   0.228601D+01 -0.278686D+01  0.514261D+01 -0.352776D+01  0.134645D+01
      2  -0.211594D+01  0.320269D+01  0.467034D+01  0.107347D+02 -0.106136D+01
      3  -0.170072D+00 -0.415828D+00 -0.981295D+01 -0.720693D+01 -0.285096D+00
      4   0.713504D+00 -0.838884D+00  0.279198D+02  0.232926D+02 -0.514429D+01
      5   0.213825D+00 -0.143715D+00 -0.866301D+01 -0.535608D+01  0.536304D+01
      6   0.222610D+01 -0.353938D+00 -0.739662D+01 -0.676086D+01  0.478371D+01
                76            77            78            79            80 
      1  -0.774164D+01 -0.147891D+02  0.417430D+01 -0.210005D+00  0.251215D+01
      2   0.164915D+02  0.252936D+02 -0.376704D+01 -0.240169D+01 -0.288547D+01
      3  -0.874982D+01 -0.105045D+02 -0.407264D+00  0.261170D+01  0.373321D+00
      4   0.269096D+02  0.305151D+02 -0.581488D+01 -0.632108D+01 -0.534930D+01
      5  -0.583069D+01 -0.625195D+01  0.463861D+01  0.229506D+01  0.377842D+01
      6  -0.873700D+01 -0.107634D+02  0.729922D+01  0.110438D+01  0.484995D+01
                81            82            83            84            85 
      1  -0.739481D+00 -0.530873D+01  0.922980D+01 -0.452252D+00  0.622622D+01
      2   0.161028D+01  0.810429D+01 -0.131363D+02  0.494850D+00 -0.785925D+01
      3  -0.870804D+00 -0.279556D+01  0.390647D+01 -0.425972D-01  0.163303D+01
      4   0.414096D+01 -0.526506D+01  0.130948D+02 -0.124835D+01  0.776825D+01
      5  -0.212948D+01  0.162438D+01 -0.260374D+01  0.204311D+01 -0.151994D+01
      6  -0.260535D+01 -0.178141D+01  0.205056D+01 -0.212603D+01  0.210875D+01
                86            87            88            89            90 
      1  -0.537135D+02  0.590330D+01 -0.267255D+00  0.420807D+01 -0.296006D+01
      2   0.717932D+02 -0.542675D+01  0.734046D+00 -0.471749D+01  0.350146D+01
      3  -0.180797D+02 -0.476554D+00 -0.466790D+00  0.509416D+00 -0.541401D+00
      4  -0.145927D+02  0.162312D+01 -0.850922D+00 -0.186831D+00 -0.179998D+01
      5   0.469894D+01 -0.165424D+01  0.112778D+01 -0.179446D+01  0.228082D+00
      6  -0.137899D+02  0.946602D+01  0.631141D+00  0.556576D+01 -0.187297D+01
                91            92            93            94            95 
      1  -0.312043D+02 -0.181181D+02 -0.110311D+02 -0.116713D+02 -0.370326D+00
      2   0.258985D+02  0.152505D+02  0.568420D+01  0.115605D+02  0.726243D+00
      3   0.530575D+01  0.286756D+01  0.534694D+01  0.110772D+00 -0.355918D+00
      4  -0.135853D+02 -0.110969D+02  0.134417D+01 -0.210159D+02  0.121891D+02
      5  -0.150868D+02  0.128494D+01 -0.238717D+02  0.543843D+01  0.269108D+02
      6   0.216529D+01  0.434002D+01 -0.153606D-01  0.715061D+01 -0.367219D+01
                96            97            98            99           100 
      1   0.800003D+01 -0.276462D+02 -0.512457D+00 -0.191693D+02 -0.599429D+02
      2  -0.975791D+01  0.190718D+02 -0.417060D+01  0.133476D+02  0.329642D+02
      3   0.175789D+01  0.857440D+01  0.468306D+01  0.582177D+01  0.269787D+02
      4   0.266291D+02  0.584891D+00  0.211329D+02 -0.913427D+01  0.287793D+02
      5  -0.427913D+01 -0.412146D+02 -0.112556D+02  0.227918D+00  0.291640D+02
      6  -0.904843D+01 -0.402569D+01 -0.338319D+01  0.618393D+01 -0.689182D+01
               101           102           103           104           105 
      1   0.258226D+02  0.266455D+02  0.830924D+01  0.577953D+01 -0.547250D+01
      2  -0.185129D+02 -0.577654D+01 -0.922223D+01 -0.558475D+01  0.190683D+02
      3  -0.730966D+01 -0.208689D+02  0.912983D+00 -0.194780D+00 -0.135958D+02
      4   0.988170D+01 -0.102429D+01  0.166879D+02 -0.155128D+02 -0.259270D+02
      5  -0.444389D+00  0.195931D+02  0.173296D+01 -0.274004D+02  0.597959D+01
      6  -0.377402D+01 -0.120447D+02 -0.705927D+01  0.136604D+02 -0.101664D+01
               106           107           108           109           110 
      1   0.185316D+02  0.403567D+00  0.370458D+02 -0.903745D+02 -0.127453D+02
      2  -0.668658D+01  0.149341D+02 -0.150001D+02  0.353249D+02  0.468821D+00
      3  -0.118450D+02 -0.153377D+02 -0.220457D+02  0.550496D+02  0.122765D+02
      4   0.213707D+01 -0.175158D+02  0.880360D+01 -0.231418D+02 -0.225645D+02
      5   0.144750D+02  0.147917D+02  0.128969D+02 -0.143306D+02 -0.653892D+01
      6  -0.800016D+01 -0.650117D+01 -0.144072D+02 -0.229933D+01 -0.237186D+01
               111           112           113           114           115 
      1  -0.674381D+01 -0.108134D+02 -0.824831D+01 -0.412269D+01  0.323367D+02
      2   0.152608D+01  0.107417D+01  0.657752D+01  0.976431D+00 -0.255445D+02
      3   0.521773D+01  0.973925D+01  0.167079D+01  0.314626D+01 -0.679220D+01
      4  -0.477562D+01  0.849343D+01 -0.856105D+01 -0.173177D+01 -0.347653D+01
      5  -0.108065D+02 -0.448807D+01 -0.285252D+01 -0.446334D+00  0.299069D+02
      6  -0.189931D+01 -0.431445D+01 -0.424189D+00  0.261165D+01  0.646748D+01
               116           117           118           119           120 
      1   0.947826D-01  0.228796D+02  0.161989D+02  0.951131D+01 -0.625089D+01
      2  -0.186378D+01 -0.707238D+01 -0.123157D+02 -0.679037D+01  0.568726D+01
      3   0.176900D+01 -0.158072D+02 -0.388313D+01 -0.272094D+01  0.563637D+00
      4  -0.229888D+01  0.234790D+01  0.156859D+02  0.117532D+02 -0.522358D+01
      5   0.352340D+01  0.483650D+01 -0.160089D+02 -0.635766D+01  0.168688D+02
      6  -0.226424D+01 -0.897786D+00 -0.566439D+01 -0.311482D+01  0.301497D+01
               121           122           123           124           125 
      1   0.181539D+02  0.221516D+01 -0.102464D+01 -0.780428D+01 -0.298035D+00
      2  -0.117894D+02 -0.153401D+01  0.339060D+01  0.868978D+01  0.439173D+01
      3  -0.636448D+01 -0.681144D+00 -0.236596D+01 -0.885502D+00 -0.409370D+01
      4   0.146857D+02  0.197294D+02 -0.155534D+02 -0.677618D+01 -0.150624D+02
      5  -0.114499D+02 -0.162947D+02  0.141204D+02  0.237725D+02  0.134087D+02
      6  -0.485362D+01 -0.891813D+01  0.887747D+01  0.467566D+01  0.763792D+01
               126           127           128           129           130 
      1   0.203072D+01 -0.711970D+01 -0.959780D+01 -0.207279D+02 -0.191429D+01
      2  -0.109560D+02  0.238315D+00  0.624417D+01  0.438476D+01  0.136199D+01
      3   0.892533D+01  0.688139D+01  0.335364D+01  0.163432D+02  0.552304D+00
      4   0.131345D+02  0.431611D+00 -0.498777D+01 -0.286632D+00 -0.548672D+00
      5  -0.276091D+02 -0.503279D+01 -0.323551D+01 -0.841099D+01  0.549464D+00
      6  -0.829469D+01  0.450150D+01  0.568945D+01  0.102699D+02  0.145993D+01
               131           132           133           134           135 
      1  -0.111660D+02 -0.898422D+01 -0.126119D+02 -0.121795D+02 -0.386851D+02
      2   0.616190D+01  0.384231D+01  0.419604D+01  0.329497D+01 -0.196662D+01
      3   0.500411D+01  0.514190D+01  0.841589D+01  0.888454D+01  0.406517D+02
      4  -0.416181D+01 -0.476428D+01  0.664363D+01 -0.101222D+02 -0.110888D+02
      5  -0.448104D+01 -0.721366D+01  0.412643D+01 -0.151564D+02 -0.405962D+02
      6   0.729746D+01  0.120344D+02  0.921668D+00  0.151386D+02  0.290001D+02
               136           137           138           139           140 
      1   0.342463D+00 -0.981954D+01  0.150053D+01 -0.732205D+01 -0.174764D+02
      2   0.296484D+01  0.896708D+01 -0.314285D+01  0.279140D+01  0.313961D+02
      3  -0.330730D+01  0.852462D+00  0.164232D+01  0.453065D+01 -0.139197D+02
      4  -0.405837D+01 -0.253831D+01 -0.918582D+00  0.717359D+01 -0.279342D+02
      5   0.205454D+01  0.120162D+01 -0.444396D+01  0.113069D+01  0.122631D+02
      6  -0.144302D+01  0.567570D+00  0.335713D+01  0.972266D-01 -0.349356D+01
               141           142           143           144           145 
      1   0.572190D+01  0.518207D+01  0.677409D+01 -0.104687D+02  0.947694D+02
      2  -0.124586D+02 -0.212570D+01 -0.160612D+02  0.112246D+02 -0.480611D+02
      3   0.673674D+01 -0.305637D+01  0.928708D+01 -0.755930D+00 -0.467083D+02
      4   0.101627D+02 -0.767620D+01  0.198757D+02 -0.851111D+01 -0.504771D+02
      5  -0.105525D+02 -0.206492D+01 -0.105331D+02  0.141857D+02 -0.382976D+02
      6   0.713712D+01  0.144443D+01  0.603411D+01 -0.745256D+01  0.100844D+02
               146           147           148           149           150 
      1  -0.182881D+02 -0.139083D+02 -0.896633D+01  0.973281D+01  0.165999D+01
      2   0.536687D+01  0.944764D+01  0.510597D+00 -0.228694D+01 -0.153499D+01
      3   0.129212D+02  0.446064D+01  0.845573D+01 -0.744588D+01 -0.124992D+00
      4   0.239799D+02  0.100330D+02  0.180758D+02 -0.887742D+01 -0.119640D+01
      5   0.101147D+02  0.184529D+02  0.361958D+01 -0.269193D+01 -0.188682D+01
      6  -0.569987D+01 -0.559936D+01 -0.423543D+01  0.106359D+01  0.238275D+01
               151           152           153           154           155 
      1  -0.932475D+01  0.177531D+01  0.640661D+01  0.200363D+03  0.252690D+02
      2   0.774429D+01 -0.300615D+01 -0.572017D+01 -0.937807D+02 -0.853449D+01
      3   0.158046D+01  0.123084D+01 -0.686443D+00 -0.106582D+03 -0.167345D+02
      4   0.514676D+01 -0.518932D+00 -0.670870D+01  0.352551D+02  0.423617D+02
      5   0.173878D+02 -0.575671D+01 -0.103238D+02  0.383566D+02  0.771033D+01
      6  -0.479813D+01  0.323667D+01  0.397028D+01  0.925737D+00  0.476898D+01
               156           157           158           159           160 
      1   0.104285D+02  0.231511D+02  0.336904D+02  0.390189D+00  0.128474D+02
      2  -0.107356D+02 -0.646744D+01 -0.108457D+02 -0.641026D+00 -0.117631D+02
      3   0.307137D+00 -0.166837D+02 -0.228447D+02  0.250838D+00 -0.108427D+01
      4   0.558081D+01  0.489544D+02  0.251582D+02  0.504462D+01  0.475477D+01
      5   0.399198D+02  0.471249D+01  0.867502D+01  0.574327D+01  0.405952D+02
      6   0.138818D+01  0.902839D+01  0.362647D+01  0.582781D+01  0.229685D+01
               161           162           163           164           165 
      1   0.124519D+01  0.237077D+02  0.498871D+02  0.539441D+01  0.177509D+02
      2  -0.116689D+01 -0.164472D+02 -0.344291D+02 -0.219762D+01 -0.106883D+02
      3  -0.783075D-01 -0.726050D+01 -0.154581D+02 -0.319679D+01 -0.706267D+01
      4   0.375735D+01  0.639787D+01  0.644706D+01  0.622622D+01 -0.101090D+01
      5   0.690072D+01  0.123305D+02  0.333453D+02 -0.431158D+00  0.194312D+02
      6   0.509414D+01  0.179519D+01  0.320916D+01  0.732554D+00  0.529216D+00
               166           167           168           169           170 
      1   0.950684D+01 -0.114013D+02 -0.214505D+00 -0.121200D+01 -0.179067D+01
      2  -0.556299D+01  0.395376D+01  0.606838D+00 -0.197716D+01  0.124794D+01
      3  -0.394386D+01  0.744749D+01 -0.392334D+00  0.318916D+01  0.542735D+00
      4   0.182730D+01 -0.251333D+01  0.874905D+01 -0.169252D+01  0.448837D+01
      5   0.349790D+01  0.779552D+01 -0.888131D+00  0.129076D+02  0.774933D-02
      6   0.160909D+01  0.198182D+00  0.116463D+02 -0.154744D+01  0.101453D+02
               171           172           173           174           175 
      1  -0.316805D+02 -0.491531D+02 -0.193677D+01  0.175170D+01 -0.760753D+01
      2  -0.109469D+02  0.307675D+02  0.131943D+01  0.697506D+01  0.543776D+01
      3   0.426275D+02  0.183856D+02  0.617336D+00 -0.872676D+01  0.216977D+01
      4  -0.109232D+01 -0.346653D+01 -0.372280D+01  0.272353D+00  0.383213D+00
      5   0.364421D+02 -0.260500D+02  0.434241D+00 -0.156783D+02 -0.267353D+01
      6  -0.893890D+00 -0.285156D+01 -0.290229D+01  0.669746D-01 -0.761783D+00
               176           177           178           179           180 
      1  -0.327770D+01  0.733495D+00 -0.145758D+02 -0.726157D+00 -0.849035D+01
      2   0.206940D+01  0.811577D+00  0.138155D+02  0.799655D+00  0.568431D+01
      3   0.120830D+01 -0.154507D+01  0.760287D+00 -0.734974D-01  0.280605D+01
      4  -0.987105D-01  0.228738D+01 -0.153191D+01 -0.634071D+00 -0.211272D+00
      5   0.217550D+01 -0.226616D+01 -0.142582D+02 -0.152861D-01 -0.574377D+01
      6  -0.950495D+00  0.236904D+01 -0.835576D+00  0.438860D+00 -0.840814D+00
               181           182           183           184           185 
      1  -0.232665D+01 -0.548742D+02  0.775743D+01  0.865120D+02  0.317058D+02
      2   0.475709D+01  0.383042D+02 -0.410468D+01 -0.607555D+02 -0.257504D+02
      3  -0.243044D+01  0.165700D+02 -0.365275D+01 -0.257565D+02 -0.595536D+01
      4  -0.261656D+02  0.392585D+02  0.344978D+01  0.252771D+02 -0.347135D+02
      5   0.116882D+02  0.422669D+01  0.120615D+02 -0.572041D+01  0.580955D+01
      6   0.489599D+01  0.335353D+00  0.775379D+01  0.423808D+01  0.480599D+01
               186           187           188           189           190 
      1  -0.100704D+02 -0.381775D+01  0.636719D+01  0.130141D+01  0.157469D+03
      2   0.803639D+01  0.701252D+01 -0.184268D+01 -0.873620D+01 -0.852878D+02
      3   0.203401D+01 -0.319478D+01 -0.452451D+01  0.743479D+01 -0.721814D+02
      4   0.377801D+01  0.744507D+01  0.356381D+01  0.156454D+02  0.752831D+01
      5   0.807236D+01  0.267907D+02  0.153865D+02 -0.673908D+01 -0.440251D+01
      6   0.232406D+01  0.153882D+02  0.830056D+01 -0.299966D+01  0.276293D+01
               191           192           193           194           195 
      1   0.258796D+02 -0.152981D+02 -0.304212D+02 -0.299100D+02  0.903845D+01
      2  -0.149036D+02  0.530137D+01  0.295841D+02  0.302901D+02 -0.939498D+01
      3  -0.109760D+02  0.999676D+01  0.837060D+00 -0.380130D+00  0.356531D+00
      4   0.305155D+02 -0.415715D+01 -0.256096D+02  0.606130D+02 -0.344848D+01
      5  -0.541060D+01  0.309708D+01  0.100492D+02 -0.617328D+01 -0.133474D+01
      6   0.216096D+01 -0.325393D+01  0.955467D+00 -0.380707D+01 -0.296985D+01
               196           197           198           199           200 
      1  -0.459105D+01  0.330688D+01  0.250105D+02 -0.114234D+03 -0.100460D+01
      2   0.137828D+01 -0.336336D+01 -0.223532D+02  0.492907D+02 -0.252802D+01
      3   0.321278D+01  0.564761D-01 -0.265738D+01  0.649435D+02  0.353263D+01
      4   0.658659D+01 -0.915631D+01  0.152537D+00 -0.445484D+01 -0.355882D+02
      5   0.488953D+02  0.558517D+01 -0.564121D+01  0.108408D+02  0.164797D+01
      6  -0.224350D+01  0.323953D+01  0.309182D+01 -0.276735D+01  0.286106D+01
               201           202           203           204           205 
      1   0.888782D+01 -0.808504D+02 -0.585947D+01  0.553941D+01  0.204668D+02
      2  -0.345937D+01  0.506653D+02 -0.920245D+01 -0.182719D+01 -0.113093D+02
      3  -0.542845D+01  0.301851D+02  0.150619D+02 -0.371223D+01 -0.915750D+01
      4   0.163251D+01 -0.291911D+01 -0.176391D+02 -0.700992D+00 -0.210658D+01
      5   0.394947D+01  0.557118D+01  0.452957D+00 -0.880952D+01  0.149469D+01
      6   0.406872D+00 -0.363148D+01  0.369729D+01  0.529684D+01 -0.243110D+01
               206           207           208           209           210 
      1  -0.494557D+01 -0.195250D+02 -0.202963D+02 -0.303419D+02  0.100221D+02
      2   0.666940D+01  0.367184D+01  0.955573D+01  0.168836D+02 -0.168316D+01
      3  -0.172383D+01  0.158532D+02  0.107406D+02  0.134583D+02 -0.833895D+01
      4   0.294743D+01 -0.224359D+02 -0.252781D+02  0.851541D+01  0.441087D+01
      5  -0.243506D+02  0.920639D+01  0.446879D+01  0.447993D+01  0.253218D+02
      6   0.154849D+02 -0.568248D+00  0.731219D+00 -0.242180D+01  0.352473D+01
               211           212           213           214           215 
      1   0.110424D+00  0.108422D+02  0.817403D+00  0.521357D+01  0.142790D+01
      2  -0.444172D+01 -0.296376D+01  0.175991D+01 -0.167660D+01 -0.602100D+00
      3   0.433130D+01 -0.787844D+01 -0.257731D+01 -0.353697D+01 -0.825800D+00
      4   0.337128D+02 -0.187148D+02 -0.470975D+00 -0.689811D+00  0.886170D-01
      5  -0.150063D+00  0.159091D+01  0.763457D+01  0.876539D+01 -0.650999D+01
      6  -0.769788D+00  0.218459D+01  0.720761D+01 -0.345671D+01  0.430191D+01
               216           217           218           219           220 
      1  -0.129020D+01 -0.581998D+02  0.471813D+02 -0.242950D+00  0.544681D+02
      2  -0.223938D+00  0.323994D+02 -0.253869D+02 -0.139805D+01 -0.273225D+02
      3   0.151414D+01  0.258004D+02 -0.217944D+02  0.164100D+01 -0.271456D+02
      4  -0.733003D+01  0.462372D+02 -0.479777D+01 -0.123080D+02 -0.333944D+02
      5  -0.365431D+01  0.465594D+00 -0.130679D+02 -0.827016D+01 -0.150648D+02
      6  -0.758281D+00 -0.536036D+01 -0.650502D+00 -0.130297D+01 -0.681322D+00
               221           222           223           224           225 
      1  -0.114205D+02 -0.195481D+02 -0.278024D+01 -0.154820D+02  0.245745D+01
      2   0.489926D+01  0.183235D+01 -0.280248D+01  0.223933D+01  0.122678D+01
      3   0.652129D+01  0.177158D+02  0.558272D+01  0.132427D+02 -0.368423D+01
      4  -0.235676D+02 -0.879604D+01 -0.124960D+02 -0.904051D+01 -0.450043D+02
      5  -0.975510D+01 -0.675137D+02 -0.227935D+02 -0.466721D+02  0.204682D+02
      6  -0.107323D+01 -0.142619D+02 -0.859784D+01 -0.106992D+02  0.705218D+01
               226           227           228           229           230 
      1  -0.587819D+01  0.141735D+02 -0.596306D+00  0.554580D+01 -0.491792D+02
      2   0.678366D+01 -0.138615D+02  0.631301D+00 -0.486591D+01  0.613289D+02
      3  -0.905475D+00 -0.311986D+00 -0.349945D-01 -0.679895D+00 -0.121497D+02
      4   0.128411D+01  0.449635D+01 -0.740469D+00  0.302681D+01  0.198081D+02
      5   0.236180D+00 -0.105207D+01  0.985877D+00 -0.150858D+00  0.126167D+01
      6  -0.187467D+00 -0.979473D-01 -0.159049D+01  0.464694D+00 -0.277359D+01
               231           232           233           234           235 
      1   0.380376D+01  0.137836D+00  0.285234D+01 -0.252032D+01  0.379878D+02
      2  -0.369947D+01  0.317332D-01 -0.363487D+01  0.319092D+01 -0.134999D+02
      3  -0.104286D+00 -0.169569D+00  0.782522D+00 -0.670599D+00 -0.244879D+02
      4  -0.117757D+01 -0.401561D+00 -0.221370D+01 -0.848821D+00  0.335185D+02
      5   0.207226D+01  0.147915D+01 -0.307024D+00 -0.152291D+00 -0.749943D+01
      6   0.729858D+01 -0.729650D-02  0.380885D+01 -0.940397D+00 -0.313347D+01
               236           237           238           239           240 
      1   0.139740D+02 -0.507239D+01  0.188096D+02  0.768250D+01 -0.203766D+01
      2  -0.962248D+00  0.206422D+01  0.144010D+01  0.107008D+02 -0.445035D+00
      3  -0.130117D+02  0.300817D+01 -0.202497D+02 -0.183833D+02  0.248270D+01
      4   0.255066D+02 -0.531795D+01  0.385597D+02  0.403322D+02 -0.704134D+01
      5  -0.379079D+01  0.484451D+01 -0.615994D+01 -0.469050D+01  0.632701D+01
      6  -0.232586D+01  0.260050D+01 -0.396339D+01 -0.448423D+01  0.502323D+01
               241           242           243           244           245 
      1  -0.689978D+01 -0.226870D+01 -0.219496D+00  0.146183D+01 -0.667685D+01
      2   0.169415D+01 -0.601420D+00  0.106752D+01  0.448942D+01 -0.209451D+01
      3   0.520563D+01  0.287012D+01 -0.848021D+00 -0.595125D+01  0.877136D+01
      4  -0.822929D+01 -0.685555D+01  0.390766D+01 -0.198955D+02  0.208715D+02
      5   0.246139D+00  0.280652D+01 -0.171355D+01  0.257889D+01 -0.147249D+01
      6   0.375722D+00  0.242017D+01 -0.133984D+01 -0.916732D+00  0.169675D+00
               246           247           248           249           250 
      1   0.939727D+00 -0.287698D+01 -0.154524D+02  0.917173D+00  0.533767D+00
      2  -0.424100D+00 -0.855722D+01  0.329254D+02 -0.703015D+00 -0.132592D+00
      3  -0.515627D+00  0.114342D+02 -0.174730D+02 -0.214158D+00 -0.401176D+00
      4  -0.409820D+00  0.280967D+02 -0.536036D+02  0.274769D+01 -0.976068D+00
      5   0.276303D+01 -0.298883D+01  0.594092D+01 -0.649779D+01  0.256647D+01
      6  -0.171079D+01  0.149902D+01 -0.306379D+01  0.655096D+01 -0.293899D+01
               251           252           253           254           255 
      1   0.203503D+01 -0.135187D+01  0.126813D+01  0.257575D+01 -0.147308D+02
      2  -0.204225D+01  0.281155D+01 -0.228370D+01 -0.136335D+01  0.605315D+01
      3   0.722441D-02 -0.145968D+01  0.101556D+01 -0.121240D+01  0.867764D+01
      4   0.314519D+01 -0.269783D+01  0.105523D+01 -0.356247D+00 -0.185182D+01
      5  -0.168495D+01  0.735970D+00 -0.123065D+02 -0.121707D+01 -0.159462D+00
      6   0.342112D+01 -0.959278D+00 -0.231389D+01  0.380361D+00 -0.105093D+01
               256           257           258           259           260 
      1   0.953589D+01  0.261436D+01  0.789018D+00 -0.328518D+02 -0.645215D+00
      2  -0.553924D+01 -0.637011D+00  0.177917D+01  0.220850D+02  0.305889D+01
      3  -0.399665D+01 -0.197735D+01 -0.256819D+01  0.107668D+02 -0.241368D+01
      4   0.203026D+02  0.257167D+02 -0.208246D+02 -0.148410D+02 -0.201402D+02
      5  -0.126892D+02 -0.202710D+02  0.321720D+02  0.352770D+02  0.293713D+02
      6  -0.463530D+01 -0.843034D+01  0.115519D+02  0.762517D+01  0.106408D+02
               261           262           263           264           265 
      1   0.544940D+00  0.195805D+02  0.899194D+01  0.143173D+02  0.248699D+02
      2  -0.142684D+02 -0.854970D+01 -0.352257D+01 -0.692797D+01 -0.923108D+01
      3   0.137235D+02 -0.110308D+02 -0.546937D+01 -0.738937D+01 -0.156388D+02
      4   0.284552D+02  0.109270D+02  0.755036D+01  0.769401D+01  0.343841D+02
      5  -0.670665D+02  0.169671D+02  0.724111D+01  0.433513D+01  0.174871D+02
      6  -0.148097D+02  0.342149D+01  0.994568D+00  0.558506D-01  0.425575D+01
               266           267           268           269           270 
      1   0.140010D+02  0.811514D+01  0.422175D+02  0.117449D+02  0.882449D+01
      2   0.267073D+00 -0.126492D+00 -0.205523D+02 -0.283276D+01 -0.613944D+01
      3  -0.142680D+02 -0.798865D+01 -0.216652D+02 -0.891218D+01 -0.268505D+01
      4   0.424428D+02  0.235393D+02  0.243237D+02  0.274932D+02  0.279094D+02
      5   0.247284D+02  0.307188D+02  0.290532D+02  0.294374D+02  0.419749D+02
      6   0.642028D+01  0.808115D+01  0.704286D+01  0.816017D+01  0.834256D+01
               271           272           273           274           275 
      1   0.179601D+03 -0.332528D+02 -0.114914D+02 -0.699542D+02  0.276640D+02
      2  -0.939773D+02  0.174265D+02  0.717555D+01  0.361881D+02 -0.131736D+02
      3  -0.856240D+02  0.158262D+02  0.431584D+01  0.337661D+02 -0.144903D+02
      4  -0.366095D+02  0.204939D+02  0.356639D+01  0.342833D+02 -0.243812D+02
      5  -0.158320D+02  0.390752D+01  0.171459D+02  0.776916D+01 -0.182284D+01
      6   0.334887D+01 -0.153313D+01 -0.640340D+00 -0.270628D+01  0.213486D+01
               276           277           278           279 
      1   0.578827D+01 -0.785161D+01  0.299759D+01  0.182034D+02
      2  -0.322959D+01  0.594521D+01 -0.141212D+01 -0.108373D+02
      3  -0.255868D+01  0.190641D+01 -0.158547D+01 -0.736602D+01
      4  -0.168926D+01  0.354969D+01  0.167127D+00 -0.148774D+01
      5  -0.594227D+01  0.259078D+02 -0.141543D+01 -0.610812D+01
      6   0.213770D+01 -0.996310D+00  0.243872D+01  0.962061D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195845D+03      0.290213D+02      0.322905D+02
   aniso      0.166131D+03      0.246181D+02      0.273914D+02
   xx         0.299428D+03      0.443707D+02      0.493691D+02
   yx         0.128912D+02      0.191029D+01      0.212548D+01
   yy         0.170907D+03      0.253258D+02      0.281787D+02
   zx        -0.154299D+02     -0.228648D+01     -0.254405D+01
   zy        -0.523792D+01     -0.776179D+00     -0.863616D+00
   zz         0.117201D+03      0.173673D+02      0.193238D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.195845D+03      0.290213D+02      0.322905D+02
   aniso      0.166131D+03      0.246181D+02      0.273914D+02
   xx         0.147250D+03      0.218201D+02      0.242782D+02
   yx         0.182566D+02      0.270535D+01      0.301010D+01
   yy         0.167615D+03      0.248380D+02      0.276360D+02
   zx        -0.654153D+02     -0.969355D+01     -0.107855D+02
   zy        -0.755240D+01     -0.111915D+01     -0.124522D+01
   zz         0.272671D+03      0.404057D+02      0.449575D+02

 ----------------------------------------------------------------------
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 ERWIN WITH HIS PSI CAN DO
 CALCULATIONS QUITE A FEW.
 BUT ONE THING HAS NOT BEEN SEEN
 JUST WHAT DOES PSI REALLY MEAN.
 -- WALTER HUCKEL, TRANS. BY FELIX BLOCH
 Job cpu time:       0 days 11 hours 52 minutes 26.8 seconds.
 Elapsed time:       0 days  1 hours 29 minutes 20.5 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:24:14 2021.
